1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine

C17H20N4O — CID 73442424

IUPAC1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
SMILESCCn1c(NCc2ccc(OC)cc2)nc2cc(N)ccc21
InChIInChI=1S/C17H20N4O/c1-3-21-16-9-6-13(18)10-15(16)20-17(21)19-11-12-4-7-14(22-2)8-5-12/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyAVFMBCZCHVHFCU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.26
Rot. Bonds5

About 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine

1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine (PubChem CID 73442424) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine.

Molecular Properties

Compound Name1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
PubChem CID73442424
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
SMILESCCn1c(NCc2ccc(OC)cc2)nc2cc(N)ccc21
InChIInChI=1S/C17H20N4O/c1-3-21-16-9-6-13(18)10-15(16)20-17(21)19-11-12-4-7-14(22-2)8-5-12/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyAVFMBCZCHVHFCU-UHFFFAOYSA-N
XLogP3.26
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
CID 59674118
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide
CID 142463367
2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
CID 68515659
1-ethyl-5-fluoro-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]benzimidazol-2-amine
CID 75523505
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 86802845
2-(1-ethyl-5-methylbenzimidazol-2-yl)-4-methoxyaniline
CID 115411306
2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82334385
1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine
CID 86802847

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine?
The IUPAC name of 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine (CID 73442424) is 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine.
What is the SMILES notation for 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine?
The canonical SMILES for 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine is CCn1c(NCc2ccc(OC)cc2)nc2cc(N)ccc21.
What is the InChIKey of 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine?
The InChIKey is AVFMBCZCHVHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-21-16-9-6-13(18)10-15(16)20-17(21)19-11-12-4-7-14(22-2)8-5-12/h4-10H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine?
1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine has a molecular weight of 296.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine is sourced from PubChem (CID 73442424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).