3-propylbenzimidazol-5-amine

C10H13N3 — CID 18379870

IUPAC3-propylbenzimidazol-5-amine
SMILESCCCn1cnc2ccc(N)cc21
InChIInChI=1S/C10H13N3/c1-2-5-13-7-12-9-4-3-8(11)6-10(9)13/h3-4,6-7H,2,5,11H2,1H3
InChIKeyGHNUVXILNKQHPB-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.03
Rot. Bonds2

About 3-propylbenzimidazol-5-amine

3-propylbenzimidazol-5-amine (PubChem CID 18379870) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name3-propylbenzimidazol-5-amine
PubChem CID18379870
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-propylbenzimidazol-5-amine
SMILESCCCn1cnc2ccc(N)cc21
InChIInChI=1S/C10H13N3/c1-2-5-13-7-12-9-4-3-8(11)6-10(9)13/h3-4,6-7H,2,5,11H2,1H3
InChIKeyGHNUVXILNKQHPB-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 ≤ 500175.23
LogP ≤ 52.03
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-propylbenzimidazol-5-amine?
The IUPAC name of 3-propylbenzimidazol-5-amine (CID 18379870) is 3-propylbenzimidazol-5-amine.
What is the SMILES notation for 3-propylbenzimidazol-5-amine?
The canonical SMILES for 3-propylbenzimidazol-5-amine is CCCn1cnc2ccc(N)cc21.
What is the InChIKey of 3-propylbenzimidazol-5-amine?
The InChIKey is GHNUVXILNKQHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-5-13-7-12-9-4-3-8(11)6-10(9)13/h3-4,6-7H,2,5,11H2,1H3.
What are the key properties of 3-propylbenzimidazol-5-amine?
3-propylbenzimidazol-5-amine has a molecular weight of 175.23 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 3-propylbenzimidazol-5-amine is sourced from PubChem (CID 18379870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).