3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

C31H25ClN4O2 — CID 20694849

IUPAC3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CC5c5ccccc5)cc4[nH]3)cc2)c1
InChIInChI=1S/C31H25ClN4O2/c1-18-13-21(15-22(32)14-18)30(37)33-23-9-7-20(8-10-23)29-35-27-12-11-24(16-28(27)36-29)34-31(38)26-17-25(26)19-5-3-2-4-6-19/h2-16,25-26H,17H2,1H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyROPGRLMHZYAJRP-UHFFFAOYSA-N
MW521.02 g/mol
LogP7.19
Rot. Bonds6

About 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide

3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 20694849) has the molecular formula C31H25ClN4O2 and a molecular weight of 521.02 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID20694849
Molecular FormulaC31H25ClN4O2
Molecular Weight521.02 g/mol
Exact Mass520.17
IUPAC Name3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CC5c5ccccc5)cc4[nH]3)cc2)c1
InChIInChI=1S/C31H25ClN4O2/c1-18-13-21(15-22(32)14-18)30(37)33-23-9-7-20(8-10-23)29-35-27-12-11-24(16-28(27)36-29)34-31(38)26-17-25(26)19-5-3-2-4-6-19/h2-16,25-26H,17H2,1H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyROPGRLMHZYAJRP-UHFFFAOYSA-N
XLogP7.19
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 57.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694983
2-chloro-4-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694828
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10228230
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-[2-[4-[(3-chloro-5-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 20694919
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-chlorobenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;4-chloro-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;3,5-dichloro-N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 160652559
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 20694849) is 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is Cc1cc(Cl)cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CC5c5ccccc5)cc4[nH]3)cc2)c1.
What is the InChIKey of 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is ROPGRLMHZYAJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN4O2/c1-18-13-21(15-22(32)14-18)30(37)33-23-9-7-20(8-10-23)29-35-27-12-11-24(16-28(27)36-29)34-31(38)26-17-25(26)19-5-3-2-4-6-19/h2-16,25-26H,17H2,1H3,(H,33,37)(H,34,38)(H,35,36).
What are the key properties of 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide?
3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 521.02 g/mol, XLogP of 7.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 20694849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).