4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine

C14H20N4 — CID 116937177

IUPAC4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
SMILESNC1CCC(C(N)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H20N4/c15-11-4-1-9(2-5-11)14(16)10-3-6-12-13(7-10)18-8-17-12/h3,6-9,11,14H,1-2,4-5,15-16H2,(H,17,18)
InChIKeyAXYHBWVQLNHTAM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.08
Rot. Bonds2

About 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine

4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 116937177) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID116937177
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
SMILESNC1CCC(C(N)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H20N4/c15-11-4-1-9(2-5-11)14(16)10-3-6-12-13(7-10)18-8-17-12/h3,6-9,11,14H,1-2,4-5,15-16H2,(H,17,18)
InChIKeyAXYHBWVQLNHTAM-UHFFFAOYSA-N
XLogP2.08
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805
6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole
CID 14518486
2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol
CID 116942422
2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid
CID 82500032
1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
CID 116906262
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
6-pentan-3-yl-1H-benzimidazole
CID 134401277
2-[amino(3H-benzimidazol-5-yl)methyl]-3-methylbutanoic acid
CID 116945219
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
2-(3H-benzimidazol-5-yl)-2-(diaminomethylideneamino)acetic acid
CID 174481598

Frequently Asked Questions

What is the IUPAC name of 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine (CID 116937177) is 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine is NC1CCC(C(N)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is AXYHBWVQLNHTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-11-4-1-9(2-5-11)14(16)10-3-6-12-13(7-10)18-8-17-12/h3,6-9,11,14H,1-2,4-5,15-16H2,(H,17,18).
What are the key properties of 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116937177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).