N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide

C14H17FN4O — CID 119600509

IUPACN-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C14H17FN4O/c15-9-4-10(13-12(5-9)17-7-18-13)14(20)19-11-3-1-2-8(11)6-16/h4-5,7-8,11H,1-3,6,16H2,(H,17,18)(H,19,20)
InChIKeyXOJSZCMLCRYKTN-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.56
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 119600509) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID119600509
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C14H17FN4O/c15-9-4-10(13-12(5-9)17-7-18-13)14(20)19-11-3-1-2-8(11)6-16/h4-5,7-8,11H,1-3,6,16H2,(H,17,18)(H,19,20)
InChIKeyXOJSZCMLCRYKTN-UHFFFAOYSA-N
XLogP1.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-1H-benzimidazole-4-carboxamide
CID 97076311
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120576857
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
N-[1-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119564817
6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 138036120
2-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
N-(1-amino-2,4-dimethylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119597419
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide (CID 119600509) is N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide is NCC1CCCC1NC(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is XOJSZCMLCRYKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-9-4-10(13-12(5-9)17-7-18-13)14(20)19-11-3-1-2-8(11)6-16/h4-5,7-8,11H,1-3,6,16H2,(H,17,18)(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 119600509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).