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

C11H12ClN3 — CID 60837999

IUPACN-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine
SMILESClc1cccc2[nH]c(CNC3CC3)nc12
InChIInChI=1S/C11H12ClN3/c12-8-2-1-3-9-11(8)15-10(14-9)6-13-7-4-5-7/h1-3,7,13H,4-6H2,(H,14,15)
InChIKeySJHHDPRVQBZJPL-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.47
Rot. Bonds3

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

N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 60837999) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine
PubChem CID60837999
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC NameN-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine
SMILESClc1cccc2[nH]c(CNC3CC3)nc12
InChIInChI=1S/C11H12ClN3/c12-8-2-1-3-9-11(8)15-10(14-9)6-13-7-4-5-7/h1-3,7,13H,4-6H2,(H,14,15)
InChIKeySJHHDPRVQBZJPL-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932
N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine
CID 112741106
4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
CID 114458303
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
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-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
CID 84633655
N-(1H-benzimidazol-2-ylmethyl)thian-4-amine
CID 78911306
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1H-benzimidazole
CID 64724734

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine (CID 60837999) is N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine is Clc1cccc2[nH]c(CNC3CC3)nc12.
What is the InChIKey of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is SJHHDPRVQBZJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-8-2-1-3-9-11(8)15-10(14-9)6-13-7-4-5-7/h1-3,7,13H,4-6H2,(H,14,15).
What are the key properties of N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine?
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 221.69 g/mol, XLogP of 2.47, 3 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]cyclopropanamine is sourced from PubChem (CID 60837999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).