2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline

C17H19N3 — CID 174832369

IUPAC2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline
SMILESCCc1ccc2[nH]c(-c3ccccc3N)nc2c1CC
InChIInChI=1S/C17H19N3/c1-3-11-9-10-15-16(12(11)4-2)20-17(19-15)13-7-5-6-8-14(13)18/h5-10H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyFAMCACHXUYVCJO-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.94
Rot. Bonds3

About 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline

2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 174832369) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline
PubChem CID174832369
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline
SMILESCCc1ccc2[nH]c(-c3ccccc3N)nc2c1CC
InChIInChI=1S/C17H19N3/c1-3-11-9-10-15-16(12(11)4-2)20-17(19-15)13-7-5-6-8-14(13)18/h5-10H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyFAMCACHXUYVCJO-UHFFFAOYSA-N
XLogP3.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
4-ethyl-2-methyl-1H-benzimidazol-5-amine
CID 54347132
2-(3-ethylthiophen-2-yl)-1H-benzimidazol-4-amine
CID 79976046
methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657
5-(2-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135626424
5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
CID 82003787
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
CID 81267619
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
CID 141290230

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline (CID 174832369) is 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline is CCc1ccc2[nH]c(-c3ccccc3N)nc2c1CC.
What is the InChIKey of 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is FAMCACHXUYVCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-11-9-10-15-16(12(11)4-2)20-17(19-15)13-7-5-6-8-14(13)18/h5-10H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline?
2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 265.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 174832369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).