1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine

C17H20N4 — CID 115379112

IUPAC1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cccc(N(C)C)c1
InChIInChI=1S/C17H20N4/c1-4-17-19-15-10-12(18)8-9-16(15)21(17)14-7-5-6-13(11-14)20(2)3/h5-11H,4,18H2,1-3H3
InChIKeySWCRNQLUNMENAB-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.24
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine

1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine (PubChem CID 115379112) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
PubChem CID115379112
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cccc(N(C)C)c1
InChIInChI=1S/C17H20N4/c1-4-17-19-15-10-12(18)8-9-16(15)21(17)14-7-5-6-13(11-14)20(2)3/h5-11H,4,18H2,1-3H3
InChIKeySWCRNQLUNMENAB-UHFFFAOYSA-N
XLogP3.24
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
CID 115379110
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
CID 63498452
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
1-[3-(dimethylamino)phenyl]benzimidazol-5-amine
CID 115379111
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine
CID 115378675
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 115378883
3-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylaniline
CID 115471786
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine (CID 115379112) is 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1cccc(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine?
The InChIKey is SWCRNQLUNMENAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-17-19-15-10-12(18)8-9-16(15)21(17)14-7-5-6-13(11-14)20(2)3/h5-11H,4,18H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine?
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine has a molecular weight of 280.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 115379112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).