1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea

C16H16N4O2 — CID 35280532

IUPAC1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C16H16N4O2/c1-20-14-6-4-3-5-13(14)18-15(20)19-16(21)17-11-7-9-12(22-2)10-8-11/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeySFJGMFORSKTGFG-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea

1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea (PubChem CID 35280532) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
PubChem CID35280532
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1
InChIInChI=1S/C16H16N4O2/c1-20-14-6-4-3-5-13(14)18-15(20)19-16(21)17-11-7-9-12(22-2)10-8-11/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeySFJGMFORSKTGFG-UHFFFAOYSA-N
XLogP3.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_imidazole(1)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
CID 39735359
(E)-3-(4-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)prop-2-enamide
CID 873082
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
N-(4-methoxyphenyl)benzotriazole-1-carboxamide
CID 87105229
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-(4-methoxyphenyl)-2-[methyl-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide
CID 8002588
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea (CID 35280532) is 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea is COc1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea?
The InChIKey is SFJGMFORSKTGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-14-6-4-3-5-13(14)18-15(20)19-16(21)17-11-7-9-12(22-2)10-8-11/h3-10H,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea?
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea has a molecular weight of 296.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea is sourced from PubChem (CID 35280532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).