3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea

C16H15ClN4O — CID 110874529

IUPAC3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)ncn2C
InChIInChI=1S/C16H15ClN4O/c1-20-10-18-14-9-13(7-8-15(14)20)21(2)16(22)19-12-5-3-11(17)4-6-12/h3-10H,1-2H3,(H,19,22)
InChIKeyANLBRFXECHJCPK-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.89
Rot. Bonds2

About 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea

3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea (PubChem CID 110874529) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea
PubChem CID110874529
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)ncn2C
InChIInChI=1S/C16H15ClN4O/c1-20-10-18-14-9-13(7-8-15(14)20)21(2)16(22)19-12-5-3-11(17)4-6-12/h3-10H,1-2H3,(H,19,22)
InChIKeyANLBRFXECHJCPK-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea
CID 110874530
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 28740219
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
CID 110869320
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115154607
(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea (CID 110874529) is 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea is CN(C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)ncn2C.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea?
The InChIKey is ANLBRFXECHJCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-20-10-18-14-9-13(7-8-15(14)20)21(2)16(22)19-12-5-3-11(17)4-6-12/h3-10H,1-2H3,(H,19,22).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea?
3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea has a molecular weight of 314.78 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1-(1-methylbenzimidazol-5-yl)urea is sourced from PubChem (CID 110874529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).