1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea

C16H15ClN4O — CID 164957826

IUPAC1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
SMILESC=C1Nc2ccc(NC(=O)Nc3cc(C)ccc3Cl)cc2N1
InChIInChI=1S/C16H15ClN4O/c1-9-3-5-12(17)14(7-9)21-16(22)20-11-4-6-13-15(8-11)19-10(2)18-13/h3-8,18-19H,2H2,1H3,(H2,20,21,22)
InChIKeyLYFJCKBBFWUROJ-UHFFFAOYSA-N
MW314.78 g/mol
LogP4.60
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea

1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 164957826) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID164957826
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
SMILESC=C1Nc2ccc(NC(=O)Nc3cc(C)ccc3Cl)cc2N1
InChIInChI=1S/C16H15ClN4O/c1-9-3-5-12(17)14(7-9)21-16(22)20-11-4-6-13-15(8-11)19-10(2)18-13/h3-8,18-19H,2H2,1H3,(H2,20,21,22)
InChIKeyLYFJCKBBFWUROJ-UHFFFAOYSA-N
XLogP4.60
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydroxyphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
CID 165014857
1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane
CID 167695271
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 165053769
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107627959
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
1-(2-chloro-5-methylphenyl)-3-[3-[[(5-formyl-1H-pyrazol-4-yl)amino]methyl]phenyl]urea
CID 88911501
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea (CID 164957826) is 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea is C=C1Nc2ccc(NC(=O)Nc3cc(C)ccc3Cl)cc2N1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is LYFJCKBBFWUROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-9-3-5-12(17)14(7-9)21-16(22)20-11-4-6-13-15(8-11)19-10(2)18-13/h3-8,18-19H,2H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea?
1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 314.78 g/mol, XLogP of 4.60, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 164957826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).