N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine

C15H19N3 — CID 78991581

IUPACN-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
SMILESc1ccc2[nH]c(CNC(C3CC3)C3CC3)nc2c1
InChIInChI=1S/C15H19N3/c1-2-4-13-12(3-1)17-14(18-13)9-16-15(10-5-6-10)11-7-8-11/h1-4,10-11,15-16H,5-9H2,(H,17,18)
InChIKeyXYCDEPAFXHZIFV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.84
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine

N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine (PubChem CID 78991581) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
PubChem CID78991581
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
SMILESc1ccc2[nH]c(CNC(C3CC3)C3CC3)nc2c1
InChIInChI=1S/C15H19N3/c1-2-4-13-12(3-1)17-14(18-13)9-16-15(10-5-6-10)11-7-8-11/h1-4,10-11,15-16H,5-9H2,(H,17,18)
InChIKeyXYCDEPAFXHZIFV-UHFFFAOYSA-N
XLogP2.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine 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)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655252
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
2-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]-1H-benzimidazole
CID 99789797
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
CID 87640795
CID 87640795
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine (CID 78991581) is N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine is c1ccc2[nH]c(CNC(C3CC3)C3CC3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine?
The InChIKey is XYCDEPAFXHZIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-4-13-12(3-1)17-14(18-13)9-16-15(10-5-6-10)11-7-8-11/h1-4,10-11,15-16H,5-9H2,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine?
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.84, 5 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)-1,1-dicyclopropylmethanamine is sourced from PubChem (CID 78991581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).