(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride

C11H16Cl3N3 — CID 112758022

IUPAC(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
SMILESCC(C)n1c(CN)nc2ccc(Cl)cc21.Cl.Cl
InChIInChI=1S/C11H14ClN3.2ClH/c1-7(2)15-10-5-8(12)3-4-9(10)14-11(15)6-13;;/h3-5,7H,6,13H2,1-2H3;2*1H
InChIKeyIWBCLNPTZDKODF-UHFFFAOYSA-N
MW296.63 g/mol
LogP3.57
Rot. Bonds2

About (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride

(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 112758022) has the molecular formula C11H16Cl3N3 and a molecular weight of 296.63 g/mol. Its IUPAC name is (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
PubChem CID112758022
Molecular FormulaC11H16Cl3N3
Molecular Weight296.63 g/mol
Exact Mass295.04
IUPAC Name(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride
SMILESCC(C)n1c(CN)nc2ccc(Cl)cc21.Cl.Cl
InChIInChI=1S/C11H14ClN3.2ClH/c1-7(2)15-10-5-8(12)3-4-9(10)14-11(15)6-13;;/h3-5,7H,6,13H2,1-2H3;2*1H
InChIKeyIWBCLNPTZDKODF-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.63
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-propan-2-ylbenzimidazol-5-amine
CID 84777993
2-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473141
4-[(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 115473043
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
6-chloro-2-(chloromethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 113316375
6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
CID 46310633
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,4-dimethylpentan-1-amine
CID 107473079
6-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 115471186
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride (CID 112758022) is (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride is CC(C)n1c(CN)nc2ccc(Cl)cc21.Cl.Cl.
What is the InChIKey of (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is IWBCLNPTZDKODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3.2ClH/c1-7(2)15-10-5-8(12)3-4-9(10)14-11(15)6-13;;/h3-5,7H,6,13H2,1-2H3;2*1H.
What are the key properties of (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride?
(6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 296.63 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-propan-2-ylbenzimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 112758022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).