N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide

C23H26FN3O — CID 17008872

IUPACN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc2ccccc2n1CCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O/c24-19-12-10-18(11-13-19)23(28)25-16-22-26-20-8-4-5-9-21(20)27(22)15-14-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2,(H,25,28)
InChIKeyRVHMKRQACFBFIL-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.08
Rot. Bonds6

About N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide

N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide (PubChem CID 17008872) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
PubChem CID17008872
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC NameN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc2ccccc2n1CCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O/c24-19-12-10-18(11-13-19)23(28)25-16-22-26-20-8-4-5-9-21(20)27(22)15-14-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2,(H,25,28)
InChIKeyRVHMKRQACFBFIL-UHFFFAOYSA-N
XLogP5.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007291
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008409
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966543
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 2975742
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970632
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966057
4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 4085689
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 955337
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964275
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide (CID 17008872) is N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide is O=C(NCc1nc2ccccc2n1CCC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is RVHMKRQACFBFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-19-12-10-18(11-13-19)23(28)25-16-22-26-20-8-4-5-9-21(20)27(22)15-14-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-16H2,(H,25,28).
What are the key properties of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide?
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 379.48 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 17008872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).