2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate

C64H77Cl2N11O6 — CID 91236754

IUPAC2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCCc2nc3cc(Cl)c(Cl)cc3n2C)c(C)c1.CCN(CC)c1ccc(NC(=O)OCCc2nc3ccc(C)cc3n2C)c(C)c1.Cc1ccc(NC(=O)OCCc2nc3ccccc3n2C)c(C)c1
InChIInChI=1S/C23H30N4O2.C22H26Cl2N4O2.C19H21N3O2/c1-6-27(7-2)18-9-11-19(17(4)15-18)25-23(28)29-13-12-22-24-20-10-8-16(3)14-21(20)26(22)5;1-5-28(6-2)15-7-8-18(14(3)11-15)26-22(29)30-10-9-21-25-19-12-16(23)17(24)13-20(19)27(21)4;1-13-8-9-15(14(2)12-13)21-19(23)24-11-10-18-20-16-6-4-5-7-17(16)22(18)3/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,28);7-8,11-13H,5-6,9-10H2,1-4H3,(H,26,29);4-9,12H,10-11H2,1-3H3,(H,21,23)
InChIKeyXKHJZRHYQQOZLJ-UHFFFAOYSA-N
MW1167.30 g/mol
LogP14.63
Rot. Bonds18

About 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate

2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate (PubChem CID 91236754) has the molecular formula C64H77Cl2N11O6 and a molecular weight of 1167.30 g/mol. Its IUPAC name is 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Name2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate
PubChem CID91236754
Molecular FormulaC64H77Cl2N11O6
Molecular Weight1167.30 g/mol
Exact Mass1165.54
IUPAC Name2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCCc2nc3cc(Cl)c(Cl)cc3n2C)c(C)c1.CCN(CC)c1ccc(NC(=O)OCCc2nc3ccc(C)cc3n2C)c(C)c1.Cc1ccc(NC(=O)OCCc2nc3ccccc3n2C)c(C)c1
InChIInChI=1S/C23H30N4O2.C22H26Cl2N4O2.C19H21N3O2/c1-6-27(7-2)18-9-11-19(17(4)15-18)25-23(28)29-13-12-22-24-20-10-8-16(3)14-21(20)26(22)5;1-5-28(6-2)15-7-8-18(14(3)11-15)26-22(29)30-10-9-21-25-19-12-16(23)17(24)13-20(19)27(21)4;1-13-8-9-15(14(2)12-13)21-19(23)24-11-10-18-20-16-6-4-5-7-17(16)22(18)3/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,28);7-8,11-13H,5-6,9-10H2,1-4H3,(H,26,29);4-9,12H,10-11H2,1-3H3,(H,21,23)
InChIKeyXKHJZRHYQQOZLJ-UHFFFAOYSA-N
XLogP14.63
TPSA174.93 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.30
LogP ≤ 514.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate with MolForge

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Related Compounds

S-[2-(1-methylbenzimidazol-2-yl)ethyl] N-[4-(diethylamino)-2-methylphenyl]carbamothioate
CID 142101972
2-[2-[2-[[4-[ethyl-[2-(methylamino)ethyl]amino]-2-methylphenyl]carbamoyloxy]ethyl]benzimidazol-1-yl]ethyl 2-methylprop-2-enoate
CID 20734194
2-[(5E)-1-methyl-4-methylidene-5-[(E)-3-methylsulfonylbut-2-enylidene]imidazol-2-yl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 142101891
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
2-benzylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22948513
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
2-(2-hydroxyethylsulfonylmethylsulfonyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23399598
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
1,6-dimethyl-2-(2-pyridin-2-yloxyethyl)benzimidazole
CID 166647824
[3-(4-amino-N-ethylanilino)-3-methyliminopropyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 142102341
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17032131

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
The IUPAC name of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate (CID 91236754) is 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate.
What is the SMILES notation for 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
The canonical SMILES for 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate is CCN(CC)c1ccc(NC(=O)OCCc2nc3cc(Cl)c(Cl)cc3n2C)c(C)c1.CCN(CC)c1ccc(NC(=O)OCCc2nc3ccc(C)cc3n2C)c(C)c1.Cc1ccc(NC(=O)OCCc2nc3ccccc3n2C)c(C)c1.
What is the InChIKey of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
The InChIKey is XKHJZRHYQQOZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.C22H26Cl2N4O2.C19H21N3O2/c1-6-27(7-2)18-9-11-19(17(4)15-18)25-23(28)29-13-12-22-24-20-10-8-16(3)14-21(20)26(22)5;1-5-28(6-2)15-7-8-18(14(3)11-15)26-22(29)30-10-9-21-25-19-12-16(23)17(24)13-20(19)27(21)4;1-13-8-9-15(14(2)12-13)21-19(23)24-11-10-18-20-16-6-4-5-7-17(16)22(18)3/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,25,28);7-8,11-13H,5-6,9-10H2,1-4H3,(H,26,29);4-9,12H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate?
2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate has a molecular weight of 1167.30 g/mol, XLogP of 14.63, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1,6-dimethylbenzimidazol-2-yl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate;2-(1-methylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate is sourced from PubChem (CID 91236754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).