1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea

C28H23ClN4O — CID 46382241

IUPAC1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C28H23ClN4O/c29-21-9-7-11-23(19-21)31-28(34)30-22-10-6-8-20(18-22)16-17-27-32-25-14-4-5-15-26(25)33(27)24-12-2-1-3-13-24/h1-15,18-19H,16-17H2,(H2,30,31,34)
InChIKeyMGDTWYRCLINUBM-UHFFFAOYSA-N
MW466.97 g/mol
LogP7.11
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382241) has the molecular formula C28H23ClN4O and a molecular weight of 466.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382241
Molecular FormulaC28H23ClN4O
Molecular Weight466.97 g/mol
Exact Mass466.16
IUPAC Name1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C28H23ClN4O/c29-21-9-7-11-23(19-21)31-28(34)30-22-10-6-8-20(18-22)16-17-27-32-25-14-4-5-15-26(25)33(27)24-12-2-1-3-13-24/h1-15,18-19H,16-17H2,(H2,30,31,34)
InChIKeyMGDTWYRCLINUBM-UHFFFAOYSA-N
XLogP7.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
1-(1,3-benzodioxol-5-yl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382231
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55632468
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
N-[3-[[3-(1-phenylbenzimidazol-2-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55632069
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
CID 46290496

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382241) is 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is O=C(Nc1cccc(Cl)c1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is MGDTWYRCLINUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O/c29-21-9-7-11-23(19-21)31-28(34)30-22-10-6-8-20(18-22)16-17-27-32-25-14-4-5-15-26(25)33(27)24-12-2-1-3-13-24/h1-15,18-19H,16-17H2,(H2,30,31,34).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 466.97 g/mol, XLogP of 7.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).