N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide

C14H18N4O — CID 115272852

IUPACN-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(N)C3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-8-16-12-5-2-9(6-13(12)17-8)14(19)18-11-4-3-10(15)7-11/h2,5-6,10-11H,3-4,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyJVDDLGIJRFXZJG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.48
Rot. Bonds2

About N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide

N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 115272852) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID115272852
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(N)C3)cc2[nH]1
InChIInChI=1S/C14H18N4O/c1-8-16-12-5-2-9(6-13(12)17-8)14(19)18-11-4-3-10(15)7-11/h2,5-6,10-11H,3-4,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyJVDDLGIJRFXZJG-UHFFFAOYSA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 115272850
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639
2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126936608
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide (CID 115272852) is N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NC3CCC(N)C3)cc2[nH]1.
What is the InChIKey of N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is JVDDLGIJRFXZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-16-12-5-2-9(6-13(12)17-8)14(19)18-11-4-3-10(15)7-11/h2,5-6,10-11H,3-4,7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide?
N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 115272852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).