N-(2-methylpropyl)-3H-benzimidazol-5-amine

C11H15N3 — CID 67445159

IUPACN-(2-methylpropyl)-3H-benzimidazol-5-amine
SMILESCC(C)CNc1ccc2nc[nH]c2c1
InChIInChI=1S/C11H15N3/c1-8(2)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)
InChIKeyLLXJYHBCLNPKCX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.63
Rot. Bonds3

About N-(2-methylpropyl)-3H-benzimidazol-5-amine

N-(2-methylpropyl)-3H-benzimidazol-5-amine (PubChem CID 67445159) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3H-benzimidazol-5-amine
PubChem CID67445159
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(2-methylpropyl)-3H-benzimidazol-5-amine
SMILESCC(C)CNc1ccc2nc[nH]c2c1
InChIInChI=1S/C11H15N3/c1-8(2)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14)
InChIKeyLLXJYHBCLNPKCX-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3H-benzimidazol-5-ylamino)-3-methylbutanoic acid
CID 115219744
N-(3H-benzimidazol-5-yl)-N'-methylsulfanylethane-1,2-diamine
CID 167274409
N-benzyl-3H-benzimidazol-5-amine
CID 53441479
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252
N-[(E)-3-phenylprop-2-enyl]-3H-benzimidazol-5-amine
CID 86579992
1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
CID 110748284
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 110205851
N-[3-(2-methoxyphenyl)prop-2-enyl]-3H-benzimidazol-5-amine
CID 141364452
1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine
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CID 108814811
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3H-benzimidazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3H-benzimidazol-5-amine (CID 67445159) is N-(2-methylpropyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3H-benzimidazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3H-benzimidazol-5-amine is CC(C)CNc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-methylpropyl)-3H-benzimidazol-5-amine?
The InChIKey is LLXJYHBCLNPKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)6-12-9-3-4-10-11(5-9)14-7-13-10/h3-5,7-8,12H,6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methylpropyl)-3H-benzimidazol-5-amine?
N-(2-methylpropyl)-3H-benzimidazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 67445159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).