N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine

C12H15N3 — CID 78991541

IUPACN-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
SMILESc1ccc2[nH]c(CNC3CCC3)nc2c1
InChIInChI=1S/C12H15N3/c1-2-7-11-10(6-1)14-12(15-11)8-13-9-4-3-5-9/h1-2,6-7,9,13H,3-5,8H2,(H,14,15)
InChIKeyAICLGIVBTBRROX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.20
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine

N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine (PubChem CID 78991541) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
PubChem CID78991541
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
SMILESc1ccc2[nH]c(CNC3CCC3)nc2c1
InChIInChI=1S/C12H15N3/c1-2-7-11-10(6-1)14-12(15-11)8-13-9-4-3-5-9/h1-2,6-7,9,13H,3-5,8H2,(H,14,15)
InChIKeyAICLGIVBTBRROX-UHFFFAOYSA-N
XLogP2.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine 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

N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
N-(1H-benzimidazol-2-ylmethyl)oxan-3-amine
CID 78946096
N-(1H-benzimidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 78954108
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexylmethyl)piperidin-3-amine
CID 51635795
1-N-(1H-benzimidazol-2-ylmethyl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]cyclohexane-1,4-diamine
CID 91561552
N-(1H-benzimidazol-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 78960182
N-[[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66191856
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine (CID 78991541) is N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine is c1ccc2[nH]c(CNC3CCC3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine?
The InChIKey is AICLGIVBTBRROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-7-11-10(6-1)14-12(15-11)8-13-9-4-3-5-9/h1-2,6-7,9,13H,3-5,8H2,(H,14,15).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine?
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine has a molecular weight of 201.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine is sourced from PubChem (CID 78991541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).