N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine

C12H17N3 — CID 117044066

IUPACN-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H17N3/c1-9(2)15(3)7-10-4-5-11-12(6-10)14-8-13-11/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyILQSFACRWLBWFF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.40
Rot. Bonds3

About N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine

N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine (PubChem CID 117044066) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
PubChem CID117044066
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H17N3/c1-9(2)15(3)7-10-4-5-11-12(6-10)14-8-13-11/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyILQSFACRWLBWFF-UHFFFAOYSA-N
XLogP2.40
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol
CID 117039239
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
methyl 2-[3H-benzimidazol-5-ylmethyl(methyl)amino]acetate
CID 115232977
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
CID 117039748
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine (CID 117044066) is N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine is CC(C)N(C)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine?
The InChIKey is ILQSFACRWLBWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)15(3)7-10-4-5-11-12(6-10)14-8-13-11/h4-6,8-9H,7H2,1-3H3,(H,13,14).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine?
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 117044066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).