1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea

C15H13ClN4O — CID 35280363

IUPAC1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
SMILESCn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C15H13ClN4O/c1-20-13-9-5-4-8-12(13)17-14(20)19-15(21)18-11-7-3-2-6-10(11)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyNOFMBQDHIIQTMR-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.87
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea

1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea (PubChem CID 35280363) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
PubChem CID35280363
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
SMILESCn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C15H13ClN4O/c1-20-13-9-5-4-8-12(13)17-14(20)19-15(21)18-11-7-3-2-6-10(11)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyNOFMBQDHIIQTMR-UHFFFAOYSA-N
XLogP3.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea (CID 35280363) is 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea is Cn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea?
The InChIKey is NOFMBQDHIIQTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-20-13-9-5-4-8-12(13)17-14(20)19-15(21)18-11-7-3-2-6-10(11)16/h2-9H,1H3,(H2,17,18,19,21).
What are the key properties of 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea?
1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea has a molecular weight of 300.75 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea is sourced from PubChem (CID 35280363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).