1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea

C24H24N4O — CID 46287171

IUPAC1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
SMILESCc1ccc(CNC(=O)NCCn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N4O/c1-18-11-13-19(14-12-18)17-26-24(29)25-15-16-28-22-10-6-5-9-21(22)27-23(28)20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H2,25,26,29)
InChIKeyXAKCRRDGWXPAGV-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.51
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea

1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea (PubChem CID 46287171) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
PubChem CID46287171
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
SMILESCc1ccc(CNC(=O)NCCn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N4O/c1-18-11-13-19(14-12-18)17-26-24(29)25-15-16-28-22-10-6-5-9-21(22)27-23(28)20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H2,25,26,29)
InChIKeyXAKCRRDGWXPAGV-UHFFFAOYSA-N
XLogP4.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 53019858
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287172
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966
1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46286976
1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287181
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111245028
N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
CID 53063187
1-benzyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747692

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea (CID 46287171) is 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea is Cc1ccc(CNC(=O)NCCn2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is XAKCRRDGWXPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-18-11-13-19(14-12-18)17-26-24(29)25-15-16-28-22-10-6-5-9-21(22)27-23(28)20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H2,25,26,29).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 384.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 46287171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).