N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide

C24H27ClFN3O — CID 18733725

IUPACN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H27ClFN3O/c1-16(2)14-28(24(30)17-6-5-7-19(26)12-17)15-23-27-21-11-10-18(25)13-22(21)29(23)20-8-3-4-9-20/h5-7,10-13,16,20H,3-4,8-9,14-15H2,1-2H3
InChIKeyGVTAMRRJUGTJKF-UHFFFAOYSA-N
MW427.95 g/mol
LogP6.24
Rot. Bonds6

About N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 18733725) has the molecular formula C24H27ClFN3O and a molecular weight of 427.95 g/mol. Its IUPAC name is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
PubChem CID18733725
Molecular FormulaC24H27ClFN3O
Molecular Weight427.95 g/mol
Exact Mass427.18
IUPAC NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C24H27ClFN3O/c1-16(2)14-28(24(30)17-6-5-7-19(26)12-17)15-23-27-21-11-10-18(25)13-22(21)29(23)20-8-3-4-9-20/h5-7,10-13,16,20H,3-4,8-9,14-15H2,1-2H3
InChIKeyGVTAMRRJUGTJKF-UHFFFAOYSA-N
XLogP6.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.95
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1,3''-bipyrrolidin-1''-yl(4-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 25031073
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CID 44132174
4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]-N,N-dimethyl-benzamide
CID 15956501
N-(1-butylbenzimidazol-2-yl)benzamide
CID 2851364
2-[2-(5,6-Dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 11847172
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-Phenylacetamide
CID 126962409
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-(2-Fluorophenyl)acetamide
CID 126962412
2-(5-Chloro-1-propan-2-ylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 2810810
4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 164615918
4-[[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 164623411
(4-Chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 827837
4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide (CID 18733725) is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is GVTAMRRJUGTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O/c1-16(2)14-28(24(30)17-6-5-7-19(26)12-17)15-23-27-21-11-10-18(25)13-22(21)29(23)20-8-3-4-9-20/h5-7,10-13,16,20H,3-4,8-9,14-15H2,1-2H3.
What are the key properties of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 427.95 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).