2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride

C10H13Cl2N3 — CID 53398953

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
SMILESCNCCc1nc2ccc(Cl)cc2[nH]1.Cl
InChIInChI=1S/C10H12ClN3.ClH/c1-12-5-4-10-13-8-3-2-7(11)6-9(8)14-10;/h2-3,6,12H,4-5H2,1H3,(H,13,14);1H
InChIKeyUHAGJUCMNKKLOE-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.40
Rot. Bonds3

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride

2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride (PubChem CID 53398953) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
PubChem CID53398953
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
SMILESCNCCc1nc2ccc(Cl)cc2[nH]1.Cl
InChIInChI=1S/C10H12ClN3.ClH/c1-12-5-4-10-13-8-3-2-7(11)6-9(8)14-10;/h2-3,6,12H,4-5H2,1H3,(H,13,14);1H
InChIKeyUHAGJUCMNKKLOE-UHFFFAOYSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337147
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089678
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274260
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 77084249
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
(2S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 125165861
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride (CID 53398953) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride is CNCCc1nc2ccc(Cl)cc2[nH]1.Cl.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
The InChIKey is UHAGJUCMNKKLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3.ClH/c1-12-5-4-10-13-8-3-2-7(11)6-9(8)14-10;/h2-3,6,12H,4-5H2,1H3,(H,13,14);1H.
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride has a molecular weight of 246.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 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-methylethanamine;hydrochloride is sourced from PubChem (CID 53398953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).