1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one

C16H16N2O2 — CID 70827960

IUPAC1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one
SMILESCn1c(=O)n(C)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C16H16N2O2/c1-17-13-9-6-10-14(15(13)18(2)16(17)19)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyYLYQCFNDEKOTOX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.46
Rot. Bonds3

About 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one

1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one (PubChem CID 70827960) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one
PubChem CID70827960
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one
SMILESCn1c(=O)n(C)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C16H16N2O2/c1-17-13-9-6-10-14(15(13)18(2)16(17)19)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyYLYQCFNDEKOTOX-UHFFFAOYSA-N
XLogP2.46
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-phenylmethoxybenzimidazol-2-amine
CID 144791590
1-methyl-4-phenylmethoxyindazole
CID 143030970
CID 163862354
CID 163862354
3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
CID 134104791
2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815
1-ethyl-4-phenylmethoxyindole
CID 24776902
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
1-(1-phenylethyl)-4-phenylmethoxyindole
CID 84571178
2-[2-(1-methyl-4-phenylmethoxyindol-3-yl)ethyl]isoindole-1,3-dione
CID 53328839
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4013801
2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione
CID 16811756

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one (CID 70827960) is 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one is Cn1c(=O)n(C)c2c(OCc3ccccc3)cccc21.
What is the InChIKey of 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one?
The InChIKey is YLYQCFNDEKOTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-13-9-6-10-14(15(13)18(2)16(17)19)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one?
1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one is sourced from PubChem (CID 70827960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).