N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine

C12H14ClN3 — CID 60787932

IUPACN-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
SMILESClc1cccc2[nH]c(CNCC3CC3)nc12
InChIInChI=1S/C12H14ClN3/c13-9-2-1-3-10-12(9)16-11(15-10)7-14-6-8-4-5-8/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyIUYCQVSFJRBVPI-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.72
Rot. Bonds4

About N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine

N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine (PubChem CID 60787932) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
PubChem CID60787932
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
SMILESClc1cccc2[nH]c(CNCC3CC3)nc12
InChIInChI=1S/C12H14ClN3/c13-9-2-1-3-10-12(9)16-11(15-10)7-14-6-8-4-5-8/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyIUYCQVSFJRBVPI-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine 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-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine
CID 60837999
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
CID 114458303
N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
CID 54925179
4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
CID 60978005
4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
CID 65155499
4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
CID 60978001
4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60978006
N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
CID 60866945
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
CID 83868022
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734
2-[(4-bromophenyl)methyl]-4-chloro-1H-benzimidazole
CID 64722299

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine (CID 60787932) is N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine is Clc1cccc2[nH]c(CNCC3CC3)nc12.
What is the InChIKey of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
The InChIKey is IUYCQVSFJRBVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-9-2-1-3-10-12(9)16-11(15-10)7-14-6-8-4-5-8/h1-3,8,14H,4-7H2,(H,15,16).
What are the key properties of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine?
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 60787932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).