N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide

C21H22FN3O — CID 1157478

IUPACN-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H22FN3O/c22-16-12-10-15(11-13-16)21-24-18-8-4-5-9-19(18)25(21)14-20(26)23-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,23,26)
InChIKeyVKXNWDVIPWLJET-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.29
Rot. Bonds4

About N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide

N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 1157478) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
PubChem CID1157478
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H22FN3O/c22-16-12-10-15(11-13-16)21-24-18-8-4-5-9-19(18)25(21)14-20(26)23-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,23,26)
InChIKeyVKXNWDVIPWLJET-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 84571341
N-cyclopentyl-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032820
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-[2-(2-amino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-cyclohexylacetamide
CID 3224652
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-cyclopentyl-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 71899062
N-cyclopropyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033311
2-[2-[(1R)-1-acetamidoethyl]benzimidazol-1-yl]-N-cyclopentylacetamide
CID 39730168
2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19243215

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide (CID 1157478) is N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is VKXNWDVIPWLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-16-12-10-15(11-13-16)21-24-18-8-4-5-9-19(18)25(21)14-20(26)23-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,23,26).
What are the key properties of N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide?
N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1157478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).