N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide

C46H39N5O5S — CID 140534153

IUPACN-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCc1cc(=O)c2cc(-c3nc4cc(C(=O)N(c5ccc6c(c5)c(=O)cc(-c5ccccc5)n6C)S(=O)(=O)c5ccccc5)ccc4n3C3CCCCC3)ccc2[nH]1
InChIInChI=1S/C46H39N5O5S/c1-29-24-43(52)36-25-31(18-21-38(36)47-29)45-48-39-26-32(19-22-41(39)50(45)33-14-8-4-9-15-33)46(54)51(57(55,56)35-16-10-5-11-17-35)34-20-23-40-37(27-34)44(53)28-42(49(40)2)30-12-6-3-7-13-30/h3,5-7,10-13,16-28,33H,4,8-9,14-15H2,1-2H3,(H,47,52)
InChIKeyPOVJBNZIAVYXKA-UHFFFAOYSA-N
MW773.92 g/mol
LogP8.91
Rot. Bonds7

About N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide

N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide (PubChem CID 140534153) has the molecular formula C46H39N5O5S and a molecular weight of 773.92 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide
PubChem CID140534153
Molecular FormulaC46H39N5O5S
Molecular Weight773.92 g/mol
Exact Mass773.27
IUPAC NameN-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCc1cc(=O)c2cc(-c3nc4cc(C(=O)N(c5ccc6c(c5)c(=O)cc(-c5ccccc5)n6C)S(=O)(=O)c5ccccc5)ccc4n3C3CCCCC3)ccc2[nH]1
InChIInChI=1S/C46H39N5O5S/c1-29-24-43(52)36-25-31(18-21-38(36)47-29)45-48-39-26-32(19-22-41(39)50(45)33-14-8-4-9-15-33)46(54)51(57(55,56)35-16-10-5-11-17-35)34-20-23-40-37(27-34)44(53)28-42(49(40)2)30-12-6-3-7-13-30/h3,5-7,10-13,16-28,33H,4,8-9,14-15H2,1-2H3,(H,47,52)
InChIKeyPOVJBNZIAVYXKA-UHFFFAOYSA-N
XLogP8.91
TPSA127.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.92
LogP ≤ 58.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-cyclohexyl-2-(4-oxo-2-phenyl-1H-quinolin-6-yl)benzimidazole-5-carboxylate
CID 86600381
N-(benzenesulfonyl)-1-cyclohexyl-N-(4,5-diphenylcinnolin-3-yl)-2-(7-phenylcinnolin-3-yl)benzimidazole-5-carboxamide
CID 140534269
1-cyclohexyl-N-(1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-N-methylsulfonyl-2-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzimidazole-5-carboxamide
CID 140534144
2-[2-(2-bromophenyl)-4-methylquinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276090
2-[3-[(N-benzyl-4-tert-butylanilino)methyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515906
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913
1-cyclohexyl-2-(2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)benzimidazole-5-carboxylic acid
CID 5275976
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate
CID 102406174
1-cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
6-(5-carboxy-1-cyclohexylbenzimidazol-2-yl)-3-quinolin-6-ylquinoline-2-carboxylic acid
CID 140534262

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide (CID 140534153) is N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide is Cc1cc(=O)c2cc(-c3nc4cc(C(=O)N(c5ccc6c(c5)c(=O)cc(-c5ccccc5)n6C)S(=O)(=O)c5ccccc5)ccc4n3C3CCCCC3)ccc2[nH]1.
What is the InChIKey of N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The InChIKey is POVJBNZIAVYXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N5O5S/c1-29-24-43(52)36-25-31(18-21-38(36)47-29)45-48-39-26-32(19-22-41(39)50(45)33-14-8-4-9-15-33)46(54)51(57(55,56)35-16-10-5-11-17-35)34-20-23-40-37(27-34)44(53)28-42(49(40)2)30-12-6-3-7-13-30/h3,5-7,10-13,16-28,33H,4,8-9,14-15H2,1-2H3,(H,47,52).
What are the key properties of N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide has a molecular weight of 773.92 g/mol, XLogP of 8.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-cyclohexyl-N-(1-methyl-4-oxo-2-phenylquinolin-6-yl)-2-(2-methyl-4-oxo-1H-quinolin-6-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 140534153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).