1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole

C28H23ClN2O2 — CID 170765469

IUPAC1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
SMILESCOc1ccccc1-c1nc2cc(OCc3ccccc3)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C28H23ClN2O2/c1-32-27-10-6-5-9-24(27)28-30-25-17-23(33-19-21-7-3-2-4-8-21)15-16-26(25)31(28)18-20-11-13-22(29)14-12-20/h2-17H,18-19H2,1H3
InChIKeyLQVRCRVORANSDL-UHFFFAOYSA-N
MW454.96 g/mol
LogP6.99
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole

1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole (PubChem CID 170765469) has the molecular formula C28H23ClN2O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
PubChem CID170765469
Molecular FormulaC28H23ClN2O2
Molecular Weight454.96 g/mol
Exact Mass454.14
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
SMILESCOc1ccccc1-c1nc2cc(OCc3ccccc3)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C28H23ClN2O2/c1-32-27-10-6-5-9-24(27)28-30-25-17-23(33-19-21-7-3-2-4-8-21)15-16-26(25)31(28)18-20-11-13-22(29)14-12-20/h2-17H,18-19H2,1H3
InChIKeyLQVRCRVORANSDL-UHFFFAOYSA-N
XLogP6.99
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.96
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
CID 170765439
5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol
CID 170765429
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
2-(4-chlorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]-5-phenylmethoxyindole
CID 134335662
5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57328802
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-phenylmethoxyindol-3-yl]acetic acid
CID 19935726
5-chloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161925
tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane
CID 150361755

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole (CID 170765469) is 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole is COc1ccccc1-c1nc2cc(OCc3ccccc3)ccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole?
The InChIKey is LQVRCRVORANSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O2/c1-32-27-10-6-5-9-24(27)28-30-25-17-23(33-19-21-7-3-2-4-8-21)15-16-26(25)31(28)18-20-11-13-22(29)14-12-20/h2-17H,18-19H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole?
1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole has a molecular weight of 454.96 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole is sourced from PubChem (CID 170765469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).