2-undec-10-enylbenzimidazol-2-amine

C18H27N3 — CID 54358719

IUPAC2-undec-10-enylbenzimidazol-2-amine
SMILESC=CCCCCCCCCCC1(N)N=c2ccccc2=N1
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-7-8-9-12-15-18(19)20-16-13-10-11-14-17(16)21-18/h2,10-11,13-14H,1,3-9,12,15,19H2
InChIKeyUKYLJJCTNVJUIC-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.25
Rot. Bonds10

About 2-undec-10-enylbenzimidazol-2-amine

2-undec-10-enylbenzimidazol-2-amine (PubChem CID 54358719) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-undec-10-enylbenzimidazol-2-amine.

Molecular Properties

Compound Name2-undec-10-enylbenzimidazol-2-amine
PubChem CID54358719
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-undec-10-enylbenzimidazol-2-amine
SMILESC=CCCCCCCCCCC1(N)N=c2ccccc2=N1
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-7-8-9-12-15-18(19)20-16-13-10-11-14-17(16)21-18/h2,10-11,13-14H,1,3-9,12,15,19H2
InChIKeyUKYLJJCTNVJUIC-UHFFFAOYSA-N
XLogP3.25
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-undec-10-enylbenzimidazol-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 2-undec-10-enylbenzimidazol-2-amine?
The IUPAC name of 2-undec-10-enylbenzimidazol-2-amine (CID 54358719) is 2-undec-10-enylbenzimidazol-2-amine.
What is the SMILES notation for 2-undec-10-enylbenzimidazol-2-amine?
The canonical SMILES for 2-undec-10-enylbenzimidazol-2-amine is C=CCCCCCCCCCC1(N)N=c2ccccc2=N1.
What is the InChIKey of 2-undec-10-enylbenzimidazol-2-amine?
The InChIKey is UKYLJJCTNVJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-3-4-5-6-7-8-9-12-15-18(19)20-16-13-10-11-14-17(16)21-18/h2,10-11,13-14H,1,3-9,12,15,19H2.
What are the key properties of 2-undec-10-enylbenzimidazol-2-amine?
2-undec-10-enylbenzimidazol-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undec-10-enylbenzimidazol-2-amine is sourced from PubChem (CID 54358719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).