2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide

C23H24ClFN4O2 — CID 55806364

IUPAC2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C23H24ClFN4O2/c24-18-14-15(25)10-11-17(18)22(31)26-13-12-21(30)28-23-27-19-8-4-5-9-20(19)29(23)16-6-2-1-3-7-16/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,26,31)(H,27,28,30)
InChIKeyINXDCTMQPGWMHT-UHFFFAOYSA-N
MW442.92 g/mol
LogP5.09
Rot. Bonds6

About 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 55806364) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide
PubChem CID55806364
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C23H24ClFN4O2/c24-18-14-15(25)10-11-17(18)22(31)26-13-12-21(30)28-23-27-19-8-4-5-9-20(19)29(23)16-6-2-1-3-7-16/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,26,31)(H,27,28,30)
InChIKeyINXDCTMQPGWMHT-UHFFFAOYSA-N
XLogP5.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.92
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
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N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
CID 25110759
N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
1-(3,4-Dichlorobenzyl)-2-Methyl-N-[(1r)-1-Phenylpropyl]-1h-Benzimidazole-5-Carboxamide
CID 44132499
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132174
1-[(2,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132175
4-fluoro-N-[6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 56650694
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzamide
CID 71455551
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
CID 914315
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide
CID 3429810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide (CID 55806364) is 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1nc2ccccc2n1C1CCCCC1.
What is the InChIKey of 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is INXDCTMQPGWMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c24-18-14-15(25)10-11-17(18)22(31)26-13-12-21(30)28-23-27-19-8-4-5-9-20(19)29(23)16-6-2-1-3-7-16/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,26,31)(H,27,28,30).
What are the key properties of 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 442.92 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 55806364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).