2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine

C17H19N3O — CID 62506691

IUPAC2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cc(C)ccc1OC
InChIInChI=1S/C17H19N3O/c1-4-17-19-13-10-12(18)6-7-14(13)20(17)15-9-11(2)5-8-16(15)21-3/h5-10H,4,18H2,1-3H3
InChIKeyNWURIKSWNRRWDC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.49
Rot. Bonds3

About 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine

2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine (PubChem CID 62506691) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
PubChem CID62506691
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cc(C)ccc1OC
InChIInChI=1S/C17H19N3O/c1-4-17-19-13-10-12(18)6-7-14(13)20(17)15-9-11(2)5-8-16(15)21-3/h5-10H,4,18H2,1-3H3
InChIKeyNWURIKSWNRRWDC-UHFFFAOYSA-N
XLogP3.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.49
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-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 63546504
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
CID 83072700
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
CID 63498452
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine (CID 62506691) is 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1cc(C)ccc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine?
The InChIKey is NWURIKSWNRRWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-17-19-13-10-12(18)6-7-14(13)20(17)15-9-11(2)5-8-16(15)21-3/h5-10H,4,18H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine?
2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 62506691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).