1-propylbenzimidazol-2-amine

C10H13N3 — CID 799602

IUPAC1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2ccccc21
InChIInChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyMGKUHRRJQCKXOW-UHFFFAOYSA-N
MW175.24 g/mol
LogP2.03
Rot. Bonds2

About 1-propylbenzimidazol-2-amine

1-propylbenzimidazol-2-amine (PubChem CID 799602) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-propylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-propylbenzimidazol-2-amine
PubChem CID799602
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2ccccc21
InChIInChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyMGKUHRRJQCKXOW-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propylbenzimidazol-2-amine?
The IUPAC name of 1-propylbenzimidazol-2-amine (CID 799602) is 1-propylbenzimidazol-2-amine.
What is the SMILES notation for 1-propylbenzimidazol-2-amine?
The canonical SMILES for 1-propylbenzimidazol-2-amine is CCCn1c(N)nc2ccccc21.
What is the InChIKey of 1-propylbenzimidazol-2-amine?
The InChIKey is MGKUHRRJQCKXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12).
What are the key properties of 1-propylbenzimidazol-2-amine?
1-propylbenzimidazol-2-amine has a molecular weight of 175.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylbenzimidazol-2-amine is sourced from PubChem (CID 799602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).