1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

C24H23ClN4O2 — CID 46382338

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C24H23ClN4O2/c1-29-21-6-4-3-5-19(21)27-23(29)14-9-16-7-11-18(12-8-16)26-24(30)28-20-15-17(25)10-13-22(20)31-2/h3-8,10-13,15H,9,14H2,1-2H3,(H2,26,28,30)
InChIKeyOIKZPLBNHQQMOM-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.66
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382338) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382338
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C24H23ClN4O2/c1-29-21-6-4-3-5-19(21)27-23(29)14-9-16-7-11-18(12-8-16)26-24(30)28-20-15-17(25)10-13-22(20)31-2/h3-8,10-13,15H,9,14H2,1-2H3,(H2,26,28,30)
InChIKeyOIKZPLBNHQQMOM-UHFFFAOYSA-N
XLogP5.66
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382310
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-(2-methoxy-5-methylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382413
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224530
1-(5-chloro-2-methoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 50753216

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382338) is 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is OIKZPLBNHQQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-29-21-6-4-3-5-19(21)27-23(29)14-9-16-7-11-18(12-8-16)26-24(30)28-20-15-17(25)10-13-22(20)31-2/h3-8,10-13,15H,9,14H2,1-2H3,(H2,26,28,30).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 434.93 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).