4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline

C17H19N3O — CID 104698565

IUPAC4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
SMILESCCn1c(-c2ccc(NC)cc2)nc2cc(OC)ccc21
InChIInChI=1S/C17H19N3O/c1-4-20-16-10-9-14(21-3)11-15(16)19-17(20)12-5-7-13(18-2)8-6-12/h5-11,18H,4H2,1-3H3
InChIKeyJFHJNIMNYAAACJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.77
Rot. Bonds4

About 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline

4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline (PubChem CID 104698565) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
PubChem CID104698565
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline
SMILESCCn1c(-c2ccc(NC)cc2)nc2cc(OC)ccc21
InChIInChI=1S/C17H19N3O/c1-4-20-16-10-9-14(21-3)11-15(16)19-17(20)12-5-7-13(18-2)8-6-12/h5-11,18H,4H2,1-3H3
InChIKeyJFHJNIMNYAAACJ-UHFFFAOYSA-N
XLogP3.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
CID 115411306
5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
CID 134083831
[1-ethyl-5-(4-methoxyphenyl)benzimidazol-2-yl]methanol
CID 67250603
2-(1-bromopropyl)-1-ethyl-5-methoxybenzimidazole
CID 82334579
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
CID 82334366
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline (CID 104698565) is 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline is CCn1c(-c2ccc(NC)cc2)nc2cc(OC)ccc21.
What is the InChIKey of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline?
The InChIKey is JFHJNIMNYAAACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-20-16-10-9-14(21-3)11-15(16)19-17(20)12-5-7-13(18-2)8-6-12/h5-11,18H,4H2,1-3H3.
What are the key properties of 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline?
4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline has a molecular weight of 281.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-5-methoxybenzimidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 104698565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).