1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea

C17H18N4O2 — CID 35279970

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
SMILESCCn1c(NC(=O)Nc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-21-15-10-5-4-9-14(15)19-16(21)20-17(22)18-12-7-6-8-13(11-12)23-2/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
InChIKeyQNHPVULCHBEDNF-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.71
Rot. Bonds4

About 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea

1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea (PubChem CID 35279970) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
PubChem CID35279970
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
SMILESCCn1c(NC(=O)Nc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-21-15-10-5-4-9-14(15)19-16(21)20-17(22)18-12-7-6-8-13(11-12)23-2/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
InChIKeyQNHPVULCHBEDNF-UHFFFAOYSA-N
XLogP3.71
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.71
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

N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849
1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46286976
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
CID 39735359
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
5-chloro-N-(1-ethylbenzimidazol-2-yl)-2-methoxybenzamide
CID 27898030
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea (CID 35279970) is 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea is CCn1c(NC(=O)Nc2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is QNHPVULCHBEDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-21-15-10-5-4-9-14(15)19-16(21)20-17(22)18-12-7-6-8-13(11-12)23-2/h4-11H,3H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea?
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 310.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 35279970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).