N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide

C25H30FN3O — CID 18734496

IUPACN-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
SMILESCCCCN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H30FN3O/c1-2-3-17-28(25(30)20-13-7-8-14-21(20)26)18-24-27-22-15-9-10-16-23(22)29(24)19-11-5-4-6-12-19/h7-10,13-16,19H,2-6,11-12,17-18H2,1H3
InChIKeyGQSHQGBHGREJID-UHFFFAOYSA-N
MW407.53 g/mol
LogP6.12
Rot. Bonds7

About N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide

N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide (PubChem CID 18734496) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
PubChem CID18734496
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
SMILESCCCCN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccccc1F
InChIInChI=1S/C25H30FN3O/c1-2-3-17-28(25(30)20-13-7-8-14-21(20)26)18-24-27-22-15-9-10-16-23(22)29(24)19-11-5-4-6-12-19/h7-10,13-16,19H,2-6,11-12,17-18H2,1H3
InChIKeyGQSHQGBHGREJID-UHFFFAOYSA-N
XLogP6.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-difluoro-N-pentylbenzamide
CID 18734067
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
N-butyl-2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734384
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733197
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide (CID 18734496) is N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide is CCCCN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccccc1F.
What is the InChIKey of N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is GQSHQGBHGREJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-2-3-17-28(25(30)20-13-7-8-14-21(20)26)18-24-27-22-15-9-10-16-23(22)29(24)19-11-5-4-6-12-19/h7-10,13-16,19H,2-6,11-12,17-18H2,1H3.
What are the key properties of N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 407.53 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 18734496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).