3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one

C28H24N2O2 — CID 134084598

IUPAC3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3ccc(COCc4ccccc4)cc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-28-29-26-17-25(15-16-27(26)30(28)18-21-7-3-1-4-8-21)24-13-11-23(12-14-24)20-32-19-22-9-5-2-6-10-22/h1-17H,18-20H2,(H,29,31)
InChIKeyODFJDTMQWUORHA-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.76
Rot. Bonds7

About 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one

3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one (PubChem CID 134084598) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
PubChem CID134084598
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3ccc(COCc4ccccc4)cc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-28-29-26-17-25(15-16-27(26)30(28)18-21-7-3-1-4-8-21)24-13-11-23(12-14-24)20-32-19-22-9-5-2-6-10-22/h1-17H,18-20H2,(H,29,31)
InChIKeyODFJDTMQWUORHA-UHFFFAOYSA-N
XLogP5.76
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 134084716
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
CID 11683515
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 134084698
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one (CID 134084598) is 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one is O=c1[nH]c2cc(-c3ccc(COCc4ccccc4)cc3)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one?
The InChIKey is ODFJDTMQWUORHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-28-29-26-17-25(15-16-27(26)30(28)18-21-7-3-1-4-8-21)24-13-11-23(12-14-24)20-32-19-22-9-5-2-6-10-22/h1-17H,18-20H2,(H,29,31).
What are the key properties of 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one?
3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one has a molecular weight of 420.51 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 134084598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).