[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride

C12H19Cl2N3 — CID 163331235

IUPAC[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
SMILESCC(C)Cn1c(CN)nc2ccccc21.Cl.Cl
InChIInChI=1S/C12H17N3.2ClH/c1-9(2)8-15-11-6-4-3-5-10(11)14-12(15)7-13;;/h3-6,9H,7-8,13H2,1-2H3;2*1H
InChIKeyFWTAOTRPZXXSQH-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.99
Rot. Bonds3

About [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride

[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride (PubChem CID 163331235) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
PubChem CID163331235
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Name[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
SMILESCC(C)Cn1c(CN)nc2ccccc21.Cl.Cl
InChIInChI=1S/C12H17N3.2ClH/c1-9(2)8-15-11-6-4-3-5-10(11)14-12(15)7-13;;/h3-6,9H,7-8,13H2,1-2H3;2*1H
InChIKeyFWTAOTRPZXXSQH-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
CID 55244166
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 77096772
(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
CID 40699134
(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970750
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride (CID 163331235) is [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride is CC(C)Cn1c(CN)nc2ccccc21.Cl.Cl.
What is the InChIKey of [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride?
The InChIKey is FWTAOTRPZXXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.2ClH/c1-9(2)8-15-11-6-4-3-5-10(11)14-12(15)7-13;;/h3-6,9H,7-8,13H2,1-2H3;2*1H.
What are the key properties of [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride?
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride has a molecular weight of 276.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 163331235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).