N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide

C132H151Cl7F2N18O6S2 — CID 160881999

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCn1c(CN(C(=O)c2ccc(C)c(F)c2)C2CCCC2)nc2ccc(Cl)cc21.CCn1c(CN(C(=O)c2ccc(SC)cc2)C2CCCC2)nc2ccc(Cl)cc21.CCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Cl)c2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccc(Cl)cc21
InChIInChI=1S/C23H25ClFN3O.C23H26ClN3OS.C23H29N3O.C22H24Cl2FN3O.C21H23Cl2N3O.C20H24ClN3OS/c1-3-27-21-13-17(24)10-11-20(21)26-22(27)14-28(18-6-4-5-7-18)23(29)16-9-8-15(2)19(25)12-16;1-3-26-21-14-17(24)10-13-20(21)25-22(26)15-27(18-6-4-5-7-18)23(28)16-8-11-19(29-2)12-9-16;1-4-5-15-26-21-14-10-9-13-20(21)24-22(26)17-25(16-18(2)3)23(27)19-11-7-6-8-12-19;1-4-28-20-12-16(23)6-8-19(20)26-21(28)13-27(10-9-14(2)3)22(29)15-5-7-18(25)17(24)11-15;1-4-26-19-11-17(23)9-10-18(19)24-20(26)13-25(12-14(2)3)21(27)15-5-7-16(22)8-6-15;1-4-24-17-12-15(21)7-8-16(17)22-19(24)13-23(10-9-14(2)3)20(25)18-6-5-11-26-18/h8-13,18H,3-7,14H2,1-2H3;8-14,18H,3-7,15H2,1-2H3;6-14,18H,4-5,15-17H2,1-3H3;5-8,11-12,14H,4,9-10,13H2,1-3H3;5-11,14H,4,12-13H2,1-3H3;5-8,11-12,14H,4,9-10,13H2,1-3H3
InChIKeySNDSAEKOKBNUBX-UHFFFAOYSA-N
MW2436.08 g/mol
LogP34.21
Rot. Bonds39

About N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide

N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide (PubChem CID 160881999) has the molecular formula C132H151Cl7F2N18O6S2 and a molecular weight of 2436.08 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide
PubChem CID160881999
Molecular FormulaC132H151Cl7F2N18O6S2
Molecular Weight2436.08 g/mol
Exact Mass2430.93
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCn1c(CN(C(=O)c2ccc(C)c(F)c2)C2CCCC2)nc2ccc(Cl)cc21.CCn1c(CN(C(=O)c2ccc(SC)cc2)C2CCCC2)nc2ccc(Cl)cc21.CCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Cl)c2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccc(Cl)cc21
InChIInChI=1S/C23H25ClFN3O.C23H26ClN3OS.C23H29N3O.C22H24Cl2FN3O.C21H23Cl2N3O.C20H24ClN3OS/c1-3-27-21-13-17(24)10-11-20(21)26-22(27)14-28(18-6-4-5-7-18)23(29)16-9-8-15(2)19(25)12-16;1-3-26-21-14-17(24)10-13-20(21)25-22(26)15-27(18-6-4-5-7-18)23(28)16-8-11-19(29-2)12-9-16;1-4-5-15-26-21-14-10-9-13-20(21)24-22(26)17-25(16-18(2)3)23(27)19-11-7-6-8-12-19;1-4-28-20-12-16(23)6-8-19(20)26-21(28)13-27(10-9-14(2)3)22(29)15-5-7-18(25)17(24)11-15;1-4-26-19-11-17(23)9-10-18(19)24-20(26)13-25(12-14(2)3)21(27)15-5-7-16(22)8-6-15;1-4-24-17-12-15(21)7-8-16(17)22-19(24)13-23(10-9-14(2)3)20(25)18-6-5-11-26-18/h8-13,18H,3-7,14H2,1-2H3;8-14,18H,3-7,15H2,1-2H3;6-14,18H,4-5,15-17H2,1-3H3;5-8,11-12,14H,4,9-10,13H2,1-3H3;5-11,14H,4,12-13H2,1-3H3;5-8,11-12,14H,4,9-10,13H2,1-3H3
InChIKeySNDSAEKOKBNUBX-UHFFFAOYSA-N
XLogP34.21
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002436.08
LogP ≤ 534.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide (CID 160881999) is N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide is CCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCn1c(CN(C(=O)c2ccc(C)c(F)c2)C2CCCC2)nc2ccc(Cl)cc21.CCn1c(CN(C(=O)c2ccc(SC)cc2)C2CCCC2)nc2ccc(Cl)cc21.CCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2ccc(F)c(Cl)c2)nc2ccc(Cl)cc21.CCn1c(CN(CCC(C)C)C(=O)c2cccs2)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is SNDSAEKOKBNUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O.C23H26ClN3OS.C23H29N3O.C22H24Cl2FN3O.C21H23Cl2N3O.C20H24ClN3OS/c1-3-27-21-13-17(24)10-11-20(21)26-22(27)14-28(18-6-4-5-7-18)23(29)16-9-8-15(2)19(25)12-16;1-3-26-21-14-17(24)10-13-20(21)25-22(26)15-27(18-6-4-5-7-18)23(28)16-8-11-19(29-2)12-9-16;1-4-5-15-26-21-14-10-9-13-20(21)24-22(26)17-25(16-18(2)3)23(27)19-11-7-6-8-12-19;1-4-28-20-12-16(23)6-8-19(20)26-21(28)13-27(10-9-14(2)3)22(29)15-5-7-18(25)17(24)11-15;1-4-26-19-11-17(23)9-10-18(19)24-20(26)13-25(12-14(2)3)21(27)15-5-7-16(22)8-6-15;1-4-24-17-12-15(21)7-8-16(17)22-19(24)13-23(10-9-14(2)3)20(25)18-6-5-11-26-18/h8-13,18H,3-7,14H2,1-2H3;8-14,18H,3-7,15H2,1-2H3;6-14,18H,4-5,15-17H2,1-3H3;5-8,11-12,14H,4,9-10,13H2,1-3H3;5-11,14H,4,12-13H2,1-3H3;5-8,11-12,14H,4,9-10,13H2,1-3H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 2436.08 g/mol, XLogP of 34.21, 39 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;4-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-3-fluoro-4-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methylsulfanylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 160881999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).