(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride

C11H17Cl2N3 — CID 112756298

IUPAC(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
SMILESCC(C)[C@@H](N)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C11H15N3.2ClH/c1-7(2)10(12)11-13-8-5-3-4-6-9(8)14-11;;/h3-7,10H,12H2,1-2H3,(H,13,14);2*1H/t10-;;/m1../s1
InChIKeyQNKCDXRSBZHZKZ-YQFADDPSSA-N
MW262.18 g/mol
LogP3.06
Rot. Bonds2

About (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride

(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride (PubChem CID 112756298) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
PubChem CID112756298
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
SMILESCC(C)[C@@H](N)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C11H15N3.2ClH/c1-7(2)10(12)11-13-8-5-3-4-6-9(8)14-11;;/h3-7,10H,12H2,1-2H3,(H,13,14);2*1H/t10-;;/m1../s1
InChIKeyQNKCDXRSBZHZKZ-YQFADDPSSA-N
XLogP3.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1H-benzimidazole
CID 22121
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dichlororuthenium;[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 121234192
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
2-[(1R)-1,2,2,2-tetrafluoroethyl]-1H-benzimidazole
CID 683204
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride?
The IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride (CID 112756298) is (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride.
What is the SMILES notation for (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride?
The canonical SMILES for (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride is CC(C)[C@@H](N)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride?
The InChIKey is QNKCDXRSBZHZKZ-YQFADDPSSA-N. The full InChI is InChI=1S/C11H15N3.2ClH/c1-7(2)10(12)11-13-8-5-3-4-6-9(8)14-11;;/h3-7,10H,12H2,1-2H3,(H,13,14);2*1H/t10-;;/m1../s1.
What are the key properties of (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride?
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 112756298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).