1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine

C14H20N4 — CID 115117527

IUPAC1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(Cc1ccc2nc[nH]c2c1)C1CCCC1N
InChIInChI=1S/C14H20N4/c1-18(14-4-2-3-11(14)15)8-10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11,14H,2-4,8,15H2,1H3,(H,16,17)
InChIKeyWPWUINKMMCOXHF-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.87
Rot. Bonds3

About 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine

1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine (PubChem CID 115117527) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
PubChem CID115117527
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(Cc1ccc2nc[nH]c2c1)C1CCCC1N
InChIInChI=1S/C14H20N4/c1-18(14-4-2-3-11(14)15)8-10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11,14H,2-4,8,15H2,1H3,(H,16,17)
InChIKeyWPWUINKMMCOXHF-UHFFFAOYSA-N
XLogP1.87
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine 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

4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
CID 117039748
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
3-amino-N-(3H-benzimidazol-5-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 115161615
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118030
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
2-(3H-benzimidazol-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110772403
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
methyl 2-[3H-benzimidazol-5-ylmethyl(methyl)amino]acetate
CID 115232977

Frequently Asked Questions

What is the IUPAC name of 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine (CID 115117527) is 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine is CN(Cc1ccc2nc[nH]c2c1)C1CCCC1N.
What is the InChIKey of 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is WPWUINKMMCOXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-18(14-4-2-3-11(14)15)8-10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11,14H,2-4,8,15H2,1H3,(H,16,17).
What are the key properties of 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine?
1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 115117527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).