1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea

C30H28N4O2 — CID 46382413

IUPAC1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H28N4O2/c1-21-12-18-28(36-2)26(20-21)33-30(35)31-23-16-13-22(14-17-23)15-19-29-32-25-10-6-7-11-27(25)34(29)24-8-4-3-5-9-24/h3-14,16-18,20H,15,19H2,1-2H3,(H2,31,33,35)
InChIKeyHWKGBBFKHNPOIR-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.77
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382413) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382413
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H28N4O2/c1-21-12-18-28(36-2)26(20-21)33-30(35)31-23-16-13-22(14-17-23)15-19-29-32-25-10-6-7-11-27(25)34(29)24-8-4-3-5-9-24/h3-14,16-18,20H,15,19H2,1-2H3,(H2,31,33,35)
InChIKeyHWKGBBFKHNPOIR-UHFFFAOYSA-N
XLogP6.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382338
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382310
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 92866618
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382413) is 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is COc1ccc(C)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is HWKGBBFKHNPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-21-12-18-28(36-2)26(20-21)33-30(35)31-23-16-13-22(14-17-23)15-19-29-32-25-10-6-7-11-27(25)34(29)24-8-4-3-5-9-24/h3-14,16-18,20H,15,19H2,1-2H3,(H2,31,33,35).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 476.58 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).