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

C11H15N3 — CID 18379803

IUPAC3-(2-methylpropyl)benzimidazol-5-amine
SMILESCC(C)Cn1cnc2ccc(N)cc21
InChIInChI=1S/C11H15N3/c1-8(2)6-14-7-13-10-4-3-9(12)5-11(10)14/h3-5,7-8H,6,12H2,1-2H3
InChIKeySRHMJBFSZVNDEY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.27
Rot. Bonds2

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

3-(2-methylpropyl)benzimidazol-5-amine (PubChem CID 18379803) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2-methylpropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)benzimidazol-5-amine
PubChem CID18379803
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(2-methylpropyl)benzimidazol-5-amine
SMILESCC(C)Cn1cnc2ccc(N)cc21
InChIInChI=1S/C11H15N3/c1-8(2)6-14-7-13-10-4-3-9(12)5-11(10)14/h3-5,7-8H,6,12H2,1-2H3
InChIKeySRHMJBFSZVNDEY-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)benzimidazol-5-amine?
The IUPAC name of 3-(2-methylpropyl)benzimidazol-5-amine (CID 18379803) is 3-(2-methylpropyl)benzimidazol-5-amine.
What is the SMILES notation for 3-(2-methylpropyl)benzimidazol-5-amine?
The canonical SMILES for 3-(2-methylpropyl)benzimidazol-5-amine is CC(C)Cn1cnc2ccc(N)cc21.
What is the InChIKey of 3-(2-methylpropyl)benzimidazol-5-amine?
The InChIKey is SRHMJBFSZVNDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)6-14-7-13-10-4-3-9(12)5-11(10)14/h3-5,7-8H,6,12H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)benzimidazol-5-amine?
3-(2-methylpropyl)benzimidazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)benzimidazol-5-amine is sourced from PubChem (CID 18379803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).