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

C28H24N4O — CID 46382224

IUPAC1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C28H24N4O/c33-28(29-22-11-3-1-4-12-22)30-23-13-9-10-21(20-23)18-19-27-31-25-16-7-8-17-26(25)32(27)24-14-5-2-6-15-24/h1-17,20H,18-19H2,(H2,29,30,33)
InChIKeyAWFOLAQRLQKONL-UHFFFAOYSA-N
MW432.53 g/mol
LogP6.45
Rot. Bonds6

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

1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382224) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382224
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C28H24N4O/c33-28(29-22-11-3-1-4-12-22)30-23-13-9-10-21(20-23)18-19-27-31-25-16-7-8-17-26(25)32(27)24-14-5-2-6-15-24/h1-17,20H,18-19H2,(H2,29,30,33)
InChIKeyAWFOLAQRLQKONL-UHFFFAOYSA-N
XLogP6.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
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
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
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-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382224) is 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is O=C(Nc1ccccc1)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is AWFOLAQRLQKONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c33-28(29-22-11-3-1-4-12-22)30-23-13-9-10-21(20-23)18-19-27-31-25-16-7-8-17-26(25)32(27)24-14-5-2-6-15-24/h1-17,20H,18-19H2,(H2,29,30,33).
What are the key properties of 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 432.53 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).