2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate

C128H140ClN27O31S5 — CID 157244250

IUPAC2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(O)Nc1nc2ccc(OC)cc2[nH]1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2[nH]1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2o1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2s1.C=C(C)C(=O)OCCNC(=O)Sc1nc2ccccc2[nH]1.C=C(C)C(=O)OCCNC(=O)Sc1nc2ccccc2s1.C=C(C)C(=O)OCCOC(=O)Nc1nc2cc(C)c(C)cc2s1.C=C(C)C(=O)OCCOC(=O)Nc1nc2ccc(Cl)cc2[nH]1.C=CC(=O)OCCNC(=O)Nc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H18N2O4S.C14H14ClN3O4.2C14H16N4O3.C14H17N3O4.C14H15N3O4.2C14H15N3O3S.C14H14N2O3S2/c1-9(2)14(19)21-5-6-22-16(20)18-15-17-12-7-10(3)11(4)8-13(12)23-15;1-8(2)12(19)21-5-6-22-14(20)18-13-16-10-4-3-9(15)7-11(10)17-13;1-9(2)12(19)21-8-7-15-14(20)18-13-16-10-5-3-4-6-11(10)17-13;1-3-12(19)21-7-6-15-14(20)18-13-16-10-5-4-9(2)8-11(10)17-13;1-8(2)13(19)21-7-12(18)17-14-15-10-5-4-9(20-3)6-11(10)16-14;1-9(2)12(18)20-8-7-15-13(19)17-14-16-10-5-3-4-6-11(10)21-14;1-9(2)12(18)20-8-7-15-14(19)21-13-16-10-5-3-4-6-11(10)17-13;1-9(2)12(18)20-8-7-15-13(19)17-14-16-10-5-3-4-6-11(10)21-14;1-9(2)12(17)19-8-7-15-13(18)21-14-16-10-5-3-4-6-11(10)20-14/h7-8H,1,5-6H2,2-4H3,(H,17,18,20);3-4,7H,1,5-6H2,2H3,(H2,16,17,18,20);3-6H,1,7-8H2,2H3,(H3,15,16,17,18,20);3-5,8H,1,6-7H2,2H3,(H3,15,16,17,18,20);4-6,12,18H,1,7H2,2-3H3,(H2,15,16,17);3-6H,1,7-8H2,2H3,(H2,15,16,17,19);3-6H,1,7-8H2,2H3,(H,15,19)(H,16,17);3-6H,1,7-8H2,2H3,(H2,15,16,17,19);3-6H,1,7-8H2,2H3,(H,15,18)
InChIKeyAVOLBQNOLVEPAG-UHFFFAOYSA-N
MW2748.47 g/mol
LogP21.72
Rot. Bonds46

About 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate

2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate (PubChem CID 157244250) has the molecular formula C128H140ClN27O31S5 and a molecular weight of 2748.47 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate
PubChem CID157244250
Molecular FormulaC128H140ClN27O31S5
Molecular Weight2748.47 g/mol
Exact Mass2745.85
IUPAC Name2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(O)Nc1nc2ccc(OC)cc2[nH]1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2[nH]1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2o1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2s1.C=C(C)C(=O)OCCNC(=O)Sc1nc2ccccc2[nH]1.C=C(C)C(=O)OCCNC(=O)Sc1nc2ccccc2s1.C=C(C)C(=O)OCCOC(=O)Nc1nc2cc(C)c(C)cc2s1.C=C(C)C(=O)OCCOC(=O)Nc1nc2ccc(Cl)cc2[nH]1.C=CC(=O)OCCNC(=O)Nc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H18N2O4S.C14H14ClN3O4.2C14H16N4O3.C14H17N3O4.C14H15N3O4.2C14H15N3O3S.C14H14N2O3S2/c1-9(2)14(19)21-5-6-22-16(20)18-15-17-12-7-10(3)11(4)8-13(12)23-15;1-8(2)12(19)21-5-6-22-14(20)18-13-16-10-4-3-9(15)7-11(10)17-13;1-9(2)12(19)21-8-7-15-14(20)18-13-16-10-5-3-4-6-11(10)17-13;1-3-12(19)21-7-6-15-14(20)18-13-16-10-5-4-9(2)8-11(10)17-13;1-8(2)13(19)21-7-12(18)17-14-15-10-5-4-9(20-3)6-11(10)16-14;1-9(2)12(18)20-8-7-15-13(19)17-14-16-10-5-3-4-6-11(10)21-14;1-9(2)12(18)20-8-7-15-14(19)21-13-16-10-5-3-4-6-11(10)17-13;1-9(2)12(18)20-8-7-15-13(19)17-14-16-10-5-3-4-6-11(10)21-14;1-9(2)12(17)19-8-7-15-13(18)21-14-16-10-5-3-4-6-11(10)20-14/h7-8H,1,5-6H2,2-4H3,(H,17,18,20);3-4,7H,1,5-6H2,2H3,(H2,16,17,18,20);3-6H,1,7-8H2,2H3,(H3,15,16,17,18,20);3-5,8H,1,6-7H2,2H3,(H3,15,16,17,18,20);4-6,12,18H,1,7H2,2-3H3,(H2,15,16,17);3-6H,1,7-8H2,2H3,(H2,15,16,17,19);3-6H,1,7-8H2,2H3,(H,15,19)(H,16,17);3-6H,1,7-8H2,2H3,(H2,15,16,17,19);3-6H,1,7-8H2,2H3,(H,15,18)
InChIKeyAVOLBQNOLVEPAG-UHFFFAOYSA-N
XLogP21.72
TPSA785.67 Ų
H-Bond Donors19
H-Bond Acceptors46
Rotatable Bonds46
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002748.47
LogP ≤ 521.72
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate with MolForge

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Related Compounds

3-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrazin-2-one;3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrazin-2-one;3-[(6-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrazin-2-one;3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]pyrazin-2-one
CID 158712085

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate (CID 157244250) is 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate is C=C(C)C(=O)OCC(O)Nc1nc2ccc(OC)cc2[nH]1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2[nH]1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2o1.C=C(C)C(=O)OCCNC(=O)Nc1nc2ccccc2s1.C=C(C)C(=O)OCCNC(=O)Sc1nc2ccccc2[nH]1.C=C(C)C(=O)OCCNC(=O)Sc1nc2ccccc2s1.C=C(C)C(=O)OCCOC(=O)Nc1nc2cc(C)c(C)cc2s1.C=C(C)C(=O)OCCOC(=O)Nc1nc2ccc(Cl)cc2[nH]1.C=CC(=O)OCCNC(=O)Nc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate?
The InChIKey is AVOLBQNOLVEPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S.C14H14ClN3O4.2C14H16N4O3.C14H17N3O4.C14H15N3O4.2C14H15N3O3S.C14H14N2O3S2/c1-9(2)14(19)21-5-6-22-16(20)18-15-17-12-7-10(3)11(4)8-13(12)23-15;1-8(2)12(19)21-5-6-22-14(20)18-13-16-10-4-3-9(15)7-11(10)17-13;1-9(2)12(19)21-8-7-15-14(20)18-13-16-10-5-3-4-6-11(10)17-13;1-3-12(19)21-7-6-15-14(20)18-13-16-10-5-4-9(2)8-11(10)17-13;1-8(2)13(19)21-7-12(18)17-14-15-10-5-4-9(20-3)6-11(10)16-14;1-9(2)12(18)20-8-7-15-13(19)17-14-16-10-5-3-4-6-11(10)21-14;1-9(2)12(18)20-8-7-15-14(19)21-13-16-10-5-3-4-6-11(10)17-13;1-9(2)12(18)20-8-7-15-13(19)17-14-16-10-5-3-4-6-11(10)21-14;1-9(2)12(17)19-8-7-15-13(18)21-14-16-10-5-3-4-6-11(10)20-14/h7-8H,1,5-6H2,2-4H3,(H,17,18,20);3-4,7H,1,5-6H2,2H3,(H2,16,17,18,20);3-6H,1,7-8H2,2H3,(H3,15,16,17,18,20);3-5,8H,1,6-7H2,2H3,(H3,15,16,17,18,20);4-6,12,18H,1,7H2,2-3H3,(H2,15,16,17);3-6H,1,7-8H2,2H3,(H2,15,16,17,19);3-6H,1,7-8H2,2H3,(H,15,19)(H,16,17);3-6H,1,7-8H2,2H3,(H2,15,16,17,19);3-6H,1,7-8H2,2H3,(H,15,18).
What are the key properties of 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate?
2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate has a molecular weight of 2748.47 g/mol, XLogP of 21.72, 46 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1H-benzimidazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzothiazol-2-ylsulfanylcarbonylamino)ethyl 2-methylprop-2-enoate;2-(1,3-benzoxazol-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-[(6-chloro-1H-benzimidazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyloxy]ethyl 2-methylprop-2-enoate;[2-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)amino]ethyl] 2-methylprop-2-enoate;2-[(6-methyl-1H-benzimidazol-2-yl)carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 157244250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).