6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one

C15H14N2O2 — CID 169489615

IUPAC6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one
SMILESCOc1ccc(CC2C=CC3=NC(=O)NC3=C2)cc1
InChIInChI=1S/C15H14N2O2/c1-19-12-5-2-10(3-6-12)8-11-4-7-13-14(9-11)17-15(18)16-13/h2-7,9,11H,8H2,1H3,(H,17,18)
InChIKeyWGKLQCBJOMLSPE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.47
Rot. Bonds3

About 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one

6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one (PubChem CID 169489615) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one
PubChem CID169489615
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one
SMILESCOc1ccc(CC2C=CC3=NC(=O)NC3=C2)cc1
InChIInChI=1S/C15H14N2O2/c1-19-12-5-2-10(3-6-12)8-11-4-7-13-14(9-11)17-15(18)16-13/h2-7,9,11H,8H2,1H3,(H,17,18)
InChIKeyWGKLQCBJOMLSPE-UHFFFAOYSA-N
XLogP2.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one
CID 16726138
5-amino-2-[(4-methoxyphenyl)methyl]-1H-pyrimidine-4,6-dione
CID 82171083
2-hydrazinylidene-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135444860
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
3-(1H-imidazol-5-ylmethyl)-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 14185458
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
CID 68809970
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride
CID 21448625
4-[(4-methoxyphenyl)methyl]oxan-3-one
CID 66825112
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
3-cyclopentylimino-6-[(4-methoxyphenyl)methyl]-6H-1,2,4-triazin-5-one
CID 167996720

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one (CID 169489615) is 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one is COc1ccc(CC2C=CC3=NC(=O)NC3=C2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one?
The InChIKey is WGKLQCBJOMLSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-12-5-2-10(3-6-12)8-11-4-7-13-14(9-11)17-15(18)16-13/h2-7,9,11H,8H2,1H3,(H,17,18).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one?
6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 169489615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).