6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide

C15H18FN3O2 — CID 97076311

IUPAC6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1CO)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C15H18FN3O2/c16-10-5-11(14-13(6-10)17-8-18-14)15(21)19-12-4-2-1-3-9(12)7-20/h5-6,8-9,12,20H,1-4,7H2,(H,17,18)(H,19,21)/t9-,12-/m0/s1
InChIKeyLVPLSIDBXKBUHA-CABZTGNLSA-N
MW291.33 g/mol
LogP1.98
Rot. Bonds3

About 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide (PubChem CID 97076311) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide
PubChem CID97076311
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1CO)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C15H18FN3O2/c16-10-5-11(14-13(6-10)17-8-18-14)15(21)19-12-4-2-1-3-9(12)7-20/h5-6,8-9,12,20H,1-4,7H2,(H,17,18)(H,19,21)/t9-,12-/m0/s1
InChIKeyLVPLSIDBXKBUHA-CABZTGNLSA-N
XLogP1.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119600509
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120576857
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-1H-benzimidazole-4-carboxamide
CID 71892495
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119564817
4-[[2-(hydroxymethyl)cyclopentyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 106359274
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
6-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 120890655
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120829118

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide (CID 97076311) is 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide is O=C(N[C@H]1CCCC[C@H]1CO)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is LVPLSIDBXKBUHA-CABZTGNLSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-10-5-11(14-13(6-10)17-8-18-14)15(21)19-12-4-2-1-3-9(12)7-20/h5-6,8-9,12,20H,1-4,7H2,(H,17,18)(H,19,21)/t9-,12-/m0/s1.
What are the key properties of 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 97076311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).