N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide

C25H28ClF2N3O — CID 18733711

IUPACN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C25H28ClF2N3O/c1-16(2)12-13-30(25(32)19-8-5-9-20(27)24(19)28)15-23-29-21-11-10-17(26)14-22(21)31(23)18-6-3-4-7-18/h5,8-11,14,16,18H,3-4,6-7,12-13,15H2,1-2H3
InChIKeyCELDUQAHDMMULD-UHFFFAOYSA-N
MW459.97 g/mol
LogP6.77
Rot. Bonds7

About N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide (PubChem CID 18733711) has the molecular formula C25H28ClF2N3O and a molecular weight of 459.97 g/mol. Its IUPAC name is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide
PubChem CID18733711
Molecular FormulaC25H28ClF2N3O
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C25H28ClF2N3O/c1-16(2)12-13-30(25(32)19-8-5-9-20(27)24(19)28)15-23-29-21-11-10-17(26)14-22(21)31(23)18-6-3-4-7-18/h5,8-11,14,16,18H,3-4,6-7,12-13,15H2,1-2H3
InChIKeyCELDUQAHDMMULD-UHFFFAOYSA-N
XLogP6.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.97
LogP ≤ 56.77
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
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
CID 949216
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-chlorophenyl)methanone
CID 1430052
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide
CID 3159382

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide (CID 18733711) is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide is CC(C)CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide?
The InChIKey is CELDUQAHDMMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF2N3O/c1-16(2)12-13-30(25(32)19-8-5-9-20(27)24(19)28)15-23-29-21-11-10-17(26)14-22(21)31(23)18-6-3-4-7-18/h5,8-11,14,16,18H,3-4,6-7,12-13,15H2,1-2H3.
What are the key properties of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide?
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide has a molecular weight of 459.97 g/mol, XLogP of 6.77, 7 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]-2,3-difluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18733711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).