1-[(2-ethylphenyl)methyl]benzimidazol-5-amine

C16H17N3 — CID 64694587

IUPAC1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
SMILESCCc1ccccc1Cn1cnc2cc(N)ccc21
InChIInChI=1S/C16H17N3/c1-2-12-5-3-4-6-13(12)10-19-11-18-15-9-14(17)7-8-16(15)19/h3-9,11H,2,10,17H2,1H3
InChIKeyKDNSTJNTXFLCHC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.23
Rot. Bonds3

About 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine

1-[(2-ethylphenyl)methyl]benzimidazol-5-amine (PubChem CID 64694587) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
PubChem CID64694587
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
SMILESCCc1ccccc1Cn1cnc2cc(N)ccc21
InChIInChI=1S/C16H17N3/c1-2-12-5-3-4-6-13(12)10-19-11-18-15-9-14(17)7-8-16(15)19/h3-9,11H,2,10,17H2,1H3
InChIKeyKDNSTJNTXFLCHC-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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Related Compounds

1-[(2-bromophenyl)methyl]benzimidazol-5-amine
CID 62508387
1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
CID 106900793
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
CID 112671985
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790
1-[(2,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 63362760
1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
CID 82875518
2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 130231841
1-[(4-fluorophenyl)methyl]benzimidazol-5-amine;trihydrochloride
CID 76853822
1-(pyrazin-2-ylmethyl)benzimidazol-5-amine
CID 171785134
1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 62506051

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine (CID 64694587) is 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine is CCc1ccccc1Cn1cnc2cc(N)ccc21.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]benzimidazol-5-amine?
The InChIKey is KDNSTJNTXFLCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-12-5-3-4-6-13(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-[(2-ethylphenyl)methyl]benzimidazol-5-amine?
1-[(2-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-[(2-ethylphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 64694587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).