1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea

C23H22N4O — CID 46382333

IUPAC1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
SMILESCn1c(CCc2ccc(NC(=O)Nc3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C23H22N4O/c1-27-21-10-6-5-9-20(21)26-22(27)16-13-17-11-14-19(15-12-17)25-23(28)24-18-7-3-2-4-8-18/h2-12,14-15H,13,16H2,1H3,(H2,24,25,28)
InChIKeyWGOLOUJEDYSOMG-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.00
Rot. Bonds5

About 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea

1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea (PubChem CID 46382333) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
PubChem CID46382333
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
SMILESCn1c(CCc2ccc(NC(=O)Nc3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C23H22N4O/c1-27-21-10-6-5-9-20(21)26-22(27)16-13-17-11-14-19(15-12-17)25-23(28)24-18-7-3-2-4-8-18/h2-12,14-15H,13,16H2,1H3,(H2,24,25,28)
InChIKeyWGOLOUJEDYSOMG-UHFFFAOYSA-N
XLogP5.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382338
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea (CID 46382333) is 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea is Cn1c(CCc2ccc(NC(=O)Nc3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea?
The InChIKey is WGOLOUJEDYSOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-27-21-10-6-5-9-20(21)26-22(27)16-13-17-11-14-19(15-12-17)25-23(28)24-18-7-3-2-4-8-18/h2-12,14-15H,13,16H2,1H3,(H2,24,25,28).
What are the key properties of 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea?
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea has a molecular weight of 370.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 46382333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).