5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one

C15H13ClN2O2 — CID 82174436

IUPAC5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-8-6-12-13(18-15(20)17-12)7-11(8)14(19)9-2-4-10(16)5-3-9/h2-7,14,19H,1H3,(H2,17,18,20)
InChIKeyVHBGIWSQSCBZBC-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.90
Rot. Bonds2

About 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one

5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 82174436) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID82174436
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1C(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-8-6-12-13(18-15(20)17-12)7-11(8)14(19)9-2-4-10(16)5-3-9/h2-7,14,19H,1H3,(H2,17,18,20)
InChIKeyVHBGIWSQSCBZBC-UHFFFAOYSA-N
XLogP2.90
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61086954
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
CID 139494105
5-[(2-bromo-3-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107983320
5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
CID 82174406
5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 103404288
5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107955619
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274
5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one
CID 130371266
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61088445

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one (CID 82174436) is 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc2[nH]c(=O)[nH]c2cc1C(O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VHBGIWSQSCBZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-8-6-12-13(18-15(20)17-12)7-11(8)14(19)9-2-4-10(16)5-3-9/h2-7,14,19H,1H3,(H2,17,18,20).
What are the key properties of 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one?
5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 288.73 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82174436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).