1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide

C123H128Cl3N17O3 — CID 157061114

IUPAC1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESC.CC(C)(C)c1nc2ccccc2n1Cc1ccccc1.CC(C)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1.CCC(CC)c1nc2ccccc2n1Cc1ccccc1.Cc1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1.Cc1ccccc1Cn1c(C2CC2)nc2ccccc21.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22N2.C18H19ClN2.C18H18N2.C18H20N2.C17H17N3O.2C16H14ClN3O.CH4/c1-3-16(4-2)19-20-17-12-8-9-13-18(17)21(19)14-15-10-6-5-7-11-15;1-13(2)11-18-20-16-5-3-4-6-17(16)21(18)12-14-7-9-15(19)10-8-14;1-13-6-2-3-7-15(13)12-20-17-9-5-4-8-16(17)19-18(20)14-10-11-14;1-18(2,3)17-19-15-11-7-8-12-16(15)20(17)13-14-9-5-4-6-10-14;1-12-7-9-14(10-8-12)19-17(21)11-20-13(2)18-15-5-3-4-6-16(15)20;2*1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13;/h5-13,16H,3-4,14H2,1-2H3;3-10,13H,11-12H2,1-2H3;2-9,14H,10-12H2,1H3;4-12H,13H2,1-3H3;3-10H,11H2,1-2H3,(H,19,21);2*2-9H,10H2,1H3,(H,19,21);1H4
InChIKeyABIOCQUDTFRBJZ-UHFFFAOYSA-N
MW1998.85 g/mol
LogP29.78
Rot. Bonds23

About 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide

1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 157061114) has the molecular formula C123H128Cl3N17O3 and a molecular weight of 1998.85 g/mol. Its IUPAC name is 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID157061114
Molecular FormulaC123H128Cl3N17O3
Molecular Weight1998.85 g/mol
Exact Mass1995.95
IUPAC Name1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESC.CC(C)(C)c1nc2ccccc2n1Cc1ccccc1.CC(C)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1.CCC(CC)c1nc2ccccc2n1Cc1ccccc1.Cc1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1.Cc1ccccc1Cn1c(C2CC2)nc2ccccc21.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22N2.C18H19ClN2.C18H18N2.C18H20N2.C17H17N3O.2C16H14ClN3O.CH4/c1-3-16(4-2)19-20-17-12-8-9-13-18(17)21(19)14-15-10-6-5-7-11-15;1-13(2)11-18-20-16-5-3-4-6-17(16)21(18)12-14-7-9-15(19)10-8-14;1-13-6-2-3-7-15(13)12-20-17-9-5-4-8-16(17)19-18(20)14-10-11-14;1-18(2,3)17-19-15-11-7-8-12-16(15)20(17)13-14-9-5-4-6-10-14;1-12-7-9-14(10-8-12)19-17(21)11-20-13(2)18-15-5-3-4-6-16(15)20;2*1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13;/h5-13,16H,3-4,14H2,1-2H3;3-10,13H,11-12H2,1-2H3;2-9,14H,10-12H2,1H3;4-12H,13H2,1-3H3;3-10H,11H2,1-2H3,(H,19,21);2*2-9H,10H2,1H3,(H,19,21);1H4
InChIKeyABIOCQUDTFRBJZ-UHFFFAOYSA-N
XLogP29.78
TPSA212.04 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001998.85
LogP ≤ 529.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide (CID 157061114) is 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide is C.CC(C)(C)c1nc2ccccc2n1Cc1ccccc1.CC(C)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1.CCC(CC)c1nc2ccccc2n1Cc1ccccc1.Cc1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1.Cc1ccccc1Cn1c(C2CC2)nc2ccccc21.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is ABIOCQUDTFRBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.C18H19ClN2.C18H18N2.C18H20N2.C17H17N3O.2C16H14ClN3O.CH4/c1-3-16(4-2)19-20-17-12-8-9-13-18(17)21(19)14-15-10-6-5-7-11-15;1-13(2)11-18-20-16-5-3-4-6-17(16)21(18)12-14-7-9-15(19)10-8-14;1-13-6-2-3-7-15(13)12-20-17-9-5-4-8-16(17)19-18(20)14-10-11-14;1-18(2,3)17-19-15-11-7-8-12-16(15)20(17)13-14-9-5-4-6-10-14;1-12-7-9-14(10-8-12)19-17(21)11-20-13(2)18-15-5-3-4-6-16(15)20;2*1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13;/h5-13,16H,3-4,14H2,1-2H3;3-10,13H,11-12H2,1-2H3;2-9,14H,10-12H2,1H3;4-12H,13H2,1-3H3;3-10H,11H2,1-2H3,(H,19,21);2*2-9H,10H2,1H3,(H,19,21);1H4.
What are the key properties of 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide?
1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 1998.85 g/mol, XLogP of 29.78, 23 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-tert-butylbenzimidazole;1-benzyl-2-pentan-3-ylbenzimidazole;bis(N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide);1-[(4-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole;2-cyclopropyl-1-[(2-methylphenyl)methyl]benzimidazole;methane;2-(2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 157061114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).