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

C9H11Cl2N3 — CID 46736450

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H10ClN3.ClH/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11;/h1-2,5H,3-4,11H2,(H,12,13);1H
InChIKeyQGHIEKGLHZSYRT-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.14
Rot. Bonds2

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

2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride (PubChem CID 46736450) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
PubChem CID46736450
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H10ClN3.ClH/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11;/h1-2,5H,3-4,11H2,(H,12,13);1H
InChIKeyQGHIEKGLHZSYRT-UHFFFAOYSA-N
XLogP2.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
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2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442
2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82282888
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153939
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 155971100

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride (CID 46736450) is 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride is Cl.NCCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride?
The InChIKey is QGHIEKGLHZSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3.ClH/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11;/h1-2,5H,3-4,11H2,(H,12,13);1H.
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride?
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.14, 2 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)ethanamine;hydrochloride is sourced from PubChem (CID 46736450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).