3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride

C15H20ClFN4O — CID 119816279

IUPAC3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Cn1c(NC(=O)C2CCCC(N)C2)nc2cc(F)ccc21
InChIInChI=1S/C15H19FN4O.ClH/c1-20-13-6-5-10(16)8-12(13)18-15(20)19-14(21)9-3-2-4-11(17)7-9;/h5-6,8-9,11H,2-4,7,17H2,1H3,(H,18,19,21);1H
InChIKeyNTHCIUMKHACIBW-UHFFFAOYSA-N
MW326.80 g/mol
LogP2.59
Rot. Bonds2

About 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119816279) has the molecular formula C15H20ClFN4O and a molecular weight of 326.80 g/mol. Its IUPAC name is 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119816279
Molecular FormulaC15H20ClFN4O
Molecular Weight326.80 g/mol
Exact Mass326.13
IUPAC Name3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Cn1c(NC(=O)C2CCCC(N)C2)nc2cc(F)ccc21
InChIInChI=1S/C15H19FN4O.ClH/c1-20-13-6-5-10(16)8-12(13)18-15(20)19-14(21)9-3-2-4-11(17)7-9;/h5-6,8-9,11H,2-4,7,17H2,1H3,(H,18,19,21);1H
InChIKeyNTHCIUMKHACIBW-UHFFFAOYSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119771657
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119822799
cis-(1R,3S)-3-amino-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 118782599
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)propanamide
CID 119342267
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
CID 166260961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119816279) is 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride is Cl.Cn1c(NC(=O)C2CCCC(N)C2)nc2cc(F)ccc21.
What is the InChIKey of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is NTHCIUMKHACIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O.ClH/c1-20-13-6-5-10(16)8-12(13)18-15(20)19-14(21)9-3-2-4-11(17)7-9;/h5-6,8-9,11H,2-4,7,17H2,1H3,(H,18,19,21);1H.
What are the key properties of 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119816279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).