N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride

C11H17Cl2N3 — CID 56773634

IUPACN-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
SMILESCC(C)NCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C11H15N3.2ClH/c1-8(2)12-7-11-13-9-5-3-4-6-10(9)14-11;;/h3-6,8,12H,7H2,1-2H3,(H,13,14);2*1H
InChIKeyRZTGUEVXOMCVFN-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.90
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride

N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride (PubChem CID 56773634) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
PubChem CID56773634
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
SMILESCC(C)NCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C11H15N3.2ClH/c1-8(2)12-7-11-13-9-5-3-4-6-10(9)14-11;;/h3-6,8,12H,7H2,1-2H3,(H,13,14);2*1H
InChIKeyRZTGUEVXOMCVFN-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103389827
(2S,3S)-2-(1H-benzimidazol-2-ylmethylamino)-3-methylpentanamide;dihydrochloride
CID 70049399
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
CID 107354364
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655252
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
bis(2-ethyl-1H-benzimidazole);sulfane
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride (CID 56773634) is N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride is CC(C)NCc1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride?
The InChIKey is RZTGUEVXOMCVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.2ClH/c1-8(2)12-7-11-13-9-5-3-4-6-10(9)14-11;;/h3-6,8,12H,7H2,1-2H3,(H,13,14);2*1H.
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride?
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride is sourced from PubChem (CID 56773634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).