(6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride

C8H10Cl3N3 — CID 22013938

IUPAC(6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C8H8ClN3.2ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;;/h1-3H,4,10H2,(H,11,12);2*1H
InChIKeyCGQMTBSKRULBBY-UHFFFAOYSA-N
MW254.55 g/mol
LogP2.52
Rot. Bonds1

About (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride

(6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 22013938) has the molecular formula C8H10Cl3N3 and a molecular weight of 254.55 g/mol. Its IUPAC name is (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride
PubChem CID22013938
Molecular FormulaC8H10Cl3N3
Molecular Weight254.55 g/mol
Exact Mass252.99
IUPAC Name(6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C8H8ClN3.2ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;;/h1-3H,4,10H2,(H,11,12);2*1H
InChIKeyCGQMTBSKRULBBY-UHFFFAOYSA-N
XLogP2.52
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminobenzimidazole
CID 13624
2-Methylbenzimidazole
CID 11984
1H-Benzimidazol-2-amine, 6-chloro-
CID 21527
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
5-Chloro-2-methylbenzimidazole
CID 76063
1H-Benzimidazole-2-methanamine
CID 145820
5-chloro-1H-benzimidazole
CID 78599
5,6-Dichloro-1H-benzimidazole
CID 331775
2-(difluoromethyl)-1H-1,3-benzodiazole
CID 597703
Chlorflurazole
CID 19232

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride (CID 22013938) is (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride is Cl.Cl.NCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is CGQMTBSKRULBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3.2ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;;/h1-3H,4,10H2,(H,11,12);2*1H.
What are the key properties of (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride?
(6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 254.55 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-benzimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 22013938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).