1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea

C24H24N4O2 — CID 46286976

IUPAC1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
SMILESCOc1cccc(NC(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-17-10-12-18(13-11-17)23-27-21-8-3-4-9-22(21)28(23)15-14-25-24(29)26-19-6-5-7-20(16-19)30-2/h3-13,16H,14-15H2,1-2H3,(H2,25,26,29)
InChIKeyOFLXUTWKKYFTCE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.84
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea

1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 46286976) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
PubChem CID46286976
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
SMILESCOc1cccc(NC(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-17-10-12-18(13-11-17)23-27-21-8-3-4-9-22(21)28(23)15-14-25-24(29)26-19-6-5-7-20(16-19)30-2/h3-13,16H,14-15H2,1-2H3,(H2,25,26,29)
InChIKeyOFLXUTWKKYFTCE-UHFFFAOYSA-N
XLogP4.84
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea (CID 46286976) is 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea is COc1cccc(NC(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is OFLXUTWKKYFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-10-12-18(13-11-17)23-27-21-8-3-4-9-22(21)28(23)15-14-25-24(29)26-19-6-5-7-20(16-19)30-2/h3-13,16H,14-15H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 400.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 46286976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).