2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

C11H14ClN3 — CID 64725128

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-15(2)6-5-11-13-9-4-3-8(12)7-10(9)14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyWFAPLSMDXWYORX-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.32
Rot. Bonds3

About 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (PubChem CID 64725128) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
PubChem CID64725128
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H14ClN3/c1-15(2)6-5-11-13-9-4-3-8(12)7-10(9)14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyWFAPLSMDXWYORX-UHFFFAOYSA-N
XLogP2.32
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 171916049
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]ethanamine
CID 99951577
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 28768564

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (CID 64725128) is 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is CN(C)CCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The InChIKey is WFAPLSMDXWYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-15(2)6-5-11-13-9-4-3-8(12)7-10(9)14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine has a molecular weight of 223.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 64725128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).