1-[(4-ethylphenyl)methyl]benzimidazol-5-amine

C16H17N3 — CID 106900793

IUPAC1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
SMILESCCc1ccc(Cn2cnc3cc(N)ccc32)cc1
InChIInChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-19-11-18-15-9-14(17)7-8-16(15)19/h3-9,11H,2,10,17H2,1H3
InChIKeyLDOWPFQVARNIGP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.23
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine

1-[(4-ethylphenyl)methyl]benzimidazol-5-amine (PubChem CID 106900793) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
PubChem CID106900793
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
SMILESCCc1ccc(Cn2cnc3cc(N)ccc32)cc1
InChIInChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-19-11-18-15-9-14(17)7-8-16(15)19/h3-9,11H,2,10,17H2,1H3
InChIKeyLDOWPFQVARNIGP-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.23
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 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine (CID 106900793) is 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine is CCc1ccc(Cn2cnc3cc(N)ccc32)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine?
The InChIKey is LDOWPFQVARNIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-19-11-18-15-9-14(17)7-8-16(15)19/h3-9,11H,2,10,17H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine?
1-[(4-ethylphenyl)methyl]benzimidazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 106900793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).