2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide

C60H62N6O4 — CID 176978684

IUPAC2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide
SMILESCCn1c(-c2ccccc2-c2ccc(CCCn3c(-c4ccccc4-c4ccc(C)cc4C)nc4cc(C(=O)NC56CC(O)(C5)C6)ccc43)cc2C)nc2cc(C(=O)N(C)C3CCC(O)CC3)ccc21
InChIInChI=1S/C60H62N6O4/c1-6-65-53-28-20-42(58(69)64(5)43-21-23-44(67)24-22-43)33-52(53)61-55(65)49-15-9-7-14-48(49)46-26-18-40(31-39(46)4)12-11-29-66-54-27-19-41(57(68)63-59-34-60(70,35-59)36-59)32-51(54)62-56(66)50-16-10-8-13-47(50)45-25-17-37(2)30-38(45)3/h7-10,13-20,25-28,30-33,43-44,67,70H,6,11-12,21-24,29,34-36H2,1-5H3,(H,63,68)
InChIKeyQKIFTQOLYLOCTD-UHFFFAOYSA-N
MW931.19 g/mol
LogP11.40
Rot. Bonds13

About 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide

2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide (PubChem CID 176978684) has the molecular formula C60H62N6O4 and a molecular weight of 931.19 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide
PubChem CID176978684
Molecular FormulaC60H62N6O4
Molecular Weight931.19 g/mol
Exact Mass930.48
IUPAC Name2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide
SMILESCCn1c(-c2ccccc2-c2ccc(CCCn3c(-c4ccccc4-c4ccc(C)cc4C)nc4cc(C(=O)NC56CC(O)(C5)C6)ccc43)cc2C)nc2cc(C(=O)N(C)C3CCC(O)CC3)ccc21
InChIInChI=1S/C60H62N6O4/c1-6-65-53-28-20-42(58(69)64(5)43-21-23-44(67)24-22-43)33-52(53)61-55(65)49-15-9-7-14-48(49)46-26-18-40(31-39(46)4)12-11-29-66-54-27-19-41(57(68)63-59-34-60(70,35-59)36-59)32-51(54)62-56(66)50-16-10-8-13-47(50)45-25-17-37(2)30-38(45)3/h7-10,13-20,25-28,30-33,43-44,67,70H,6,11-12,21-24,29,34-36H2,1-5H3,(H,63,68)
InChIKeyQKIFTQOLYLOCTD-UHFFFAOYSA-N
XLogP11.40
TPSA125.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.19
LogP ≤ 511.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide with MolForge

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Related Compounds

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
4-[[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 176978645
2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
CID 176978642
2-[2-(2,4-dimethylphenyl)phenyl]-N,1-dimethylbenzimidazole-5-carboxamide
CID 176978825
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
CID 176978723
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
CID 176978800
2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
CID 59083098
3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole
CID 176978694
N-cyclopentyl-4-(2,4-dimethylphenyl)-N-methylbenzamide
CID 129191408
methyl 5-[2-[1-[1-[4-[2-(1-ethyl-5-prop-1-ynylbenzimidazol-2-yl)phenyl]-3-methylphenyl]propan-2-yl]-5-(methylcarbamoyl)benzimidazol-2-yl]phenyl]-2-methylbenzoate
CID 176978632
N-cyclohexyl-2-[(3,4-dimethylbenzoyl)amino]-N-methyl-1-(3-oxopropyl)benzimidazole-5-carboxamide
CID 142243763
6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
CID 10117609

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide (CID 176978684) is 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide is CCn1c(-c2ccccc2-c2ccc(CCCn3c(-c4ccccc4-c4ccc(C)cc4C)nc4cc(C(=O)NC56CC(O)(C5)C6)ccc43)cc2C)nc2cc(C(=O)N(C)C3CCC(O)CC3)ccc21.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide?
The InChIKey is QKIFTQOLYLOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62N6O4/c1-6-65-53-28-20-42(58(69)64(5)43-21-23-44(67)24-22-43)33-52(53)61-55(65)49-15-9-7-14-48(49)46-26-18-40(31-39(46)4)12-11-29-66-54-27-19-41(57(68)63-59-34-60(70,35-59)36-59)32-51(54)62-56(66)50-16-10-8-13-47(50)45-25-17-37(2)30-38(45)3/h7-10,13-20,25-28,30-33,43-44,67,70H,6,11-12,21-24,29,34-36H2,1-5H3,(H,63,68).
What are the key properties of 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide?
2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide has a molecular weight of 931.19 g/mol, XLogP of 11.40, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)phenyl]-1-[3-[4-[2-[1-ethyl-5-[(4-hydroxycyclohexyl)-methylcarbamoyl]benzimidazol-2-yl]phenyl]-3-methylphenyl]propyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 176978684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).