2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine

C18H21N3 — CID 63498452

IUPAC2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cccc(C(C)C)c1
InChIInChI=1S/C18H21N3/c1-4-18-20-16-11-14(19)8-9-17(16)21(18)15-7-5-6-13(10-15)12(2)3/h5-12H,4,19H2,1-3H3
InChIKeyLTUSVQSSSAABAR-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.29
Rot. Bonds3

About 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine

2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine (PubChem CID 63498452) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
PubChem CID63498452
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cccc(C(C)C)c1
InChIInChI=1S/C18H21N3/c1-4-18-20-16-11-14(19)8-9-17(16)21(18)15-7-5-6-13(10-15)12(2)3/h5-12H,4,19H2,1-3H3
InChIKeyLTUSVQSSSAABAR-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.29
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-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700
1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508046
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681
1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
CID 115379110

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine (CID 63498452) is 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1cccc(C(C)C)c1.
What is the InChIKey of 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine?
The InChIKey is LTUSVQSSSAABAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-18-20-16-11-14(19)8-9-17(16)21(18)15-7-5-6-13(10-15)12(2)3/h5-12H,4,19H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine?
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 63498452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).