1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide

C28H23N3O2 — CID 121080191

IUPAC1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C28H23N3O2/c32-28(23-13-16-27-26(17-23)30-20-31(27)24-9-5-2-6-10-24)29-18-21-11-14-25(15-12-21)33-19-22-7-3-1-4-8-22/h1-17,20H,18-19H2,(H,29,32)
InChIKeyQEPBMMSCSJMRGY-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.53
Rot. Bonds7

About 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide

1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 121080191) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID121080191
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C28H23N3O2/c32-28(23-13-16-27-26(17-23)30-20-31(27)24-9-5-2-6-10-24)29-18-21-11-14-25(15-12-21)33-19-22-7-3-1-4-8-22/h1-17,20H,18-19H2,(H,29,32)
InChIKeyQEPBMMSCSJMRGY-UHFFFAOYSA-N
XLogP5.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
N-(pyridin-3-ylmethyl)-1-[4-[2-[2-(trifluoromethoxy)phenoxy]ethoxy]phenyl]benzimidazole-5-carboxamide
CID 67011613
1-[4-[[(5-benzyl-1-ethylpyrazole-3-carbonyl)amino]methyl]phenyl]-N-methylbenzimidazole-5-carboxamide
CID 169300411
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[3-(4-methylpiperazin-1-yl)propyl]-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 11273057

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide (CID 121080191) is 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide is O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is QEPBMMSCSJMRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c32-28(23-13-16-27-26(17-23)30-20-31(27)24-9-5-2-6-10-24)29-18-21-11-14-25(15-12-21)33-19-22-7-3-1-4-8-22/h1-17,20H,18-19H2,(H,29,32).
What are the key properties of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide?
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 121080191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).