1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea

C24H24N4O2 — CID 24612469

IUPAC1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)C(C)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H24N4O2/c1-17(27(2)24(29)26-21-9-5-7-11-23(21)30-3)18-12-14-19(15-13-18)28-16-25-20-8-4-6-10-22(20)28/h4-17H,1-3H3,(H,26,29)
InChIKeyXGAYITAFKCZKBF-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.26
Rot. Bonds5

About 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea

1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea (PubChem CID 24612469) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
PubChem CID24612469
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)C(C)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H24N4O2/c1-17(27(2)24(29)26-21-9-5-7-11-23(21)30-3)18-12-14-19(15-13-18)28-16-25-20-8-4-6-10-22(20)28/h4-17H,1-3H3,(H,26,29)
InChIKeyXGAYITAFKCZKBF-UHFFFAOYSA-N
XLogP5.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
CID 42263428
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174001
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
CID 55570520
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 86916477
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 47493398
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86975244
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 86887747
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea (CID 24612469) is 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea is COc1ccccc1NC(=O)N(C)C(C)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
The InChIKey is XGAYITAFKCZKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17(27(2)24(29)26-21-9-5-7-11-23(21)30-3)18-12-14-19(15-13-18)28-16-25-20-8-4-6-10-22(20)28/h4-17H,1-3H3,(H,26,29).
What are the key properties of 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea has a molecular weight of 400.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 24612469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).