1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one

C26H24N8O — CID 23551371

IUPAC1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCc1ccc(Cn2c(=O)n(Cc3nc4ccccc4n3CCn3cnnn3)c3ccccc32)cc1
InChIInChI=1S/C26H24N8O/c1-19-10-12-20(13-11-19)16-33-23-8-4-5-9-24(23)34(26(33)35)17-25-28-21-6-2-3-7-22(21)32(25)15-14-31-18-27-29-30-31/h2-13,18H,14-17H2,1H3
InChIKeyPERQIFCDSRYWKA-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.24
Rot. Bonds7

About 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one

1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one (PubChem CID 23551371) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
PubChem CID23551371
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCc1ccc(Cn2c(=O)n(Cc3nc4ccccc4n3CCn3cnnn3)c3ccccc32)cc1
InChIInChI=1S/C26H24N8O/c1-19-10-12-20(13-11-19)16-33-23-8-4-5-9-24(23)34(26(33)35)17-25-28-21-6-2-3-7-22(21)32(25)15-14-31-18-27-29-30-31/h2-13,18H,14-17H2,1H3
InChIKeyPERQIFCDSRYWKA-UHFFFAOYSA-N
XLogP3.24
TPSA88.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one with MolForge

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Related Compounds

3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
CID 15956485
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzimidazol-2-one
CID 23551414
1-[(4-aminophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-2-one
CID 67991536
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
CID 2986832
ethyl 2-[2-oxo-3-[[1-[2-(tetrazol-2-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetate
CID 23551517
methyl 4-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoate
CID 23551558
4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzohydrazide
CID 23551468
4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 23551470
4-[[3-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 74062106
ethyl 2-[(2-ethoxy-2-oxoethyl)-[4-[[3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoyl]amino]acetate
CID 23551525

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one (CID 23551371) is 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one is Cc1ccc(Cn2c(=O)n(Cc3nc4ccccc4n3CCn3cnnn3)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
The InChIKey is PERQIFCDSRYWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O/c1-19-10-12-20(13-11-19)16-33-23-8-4-5-9-24(23)34(26(33)35)17-25-28-21-6-2-3-7-22(21)32(25)15-14-31-18-27-29-30-31/h2-13,18H,14-17H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one?
1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one has a molecular weight of 464.53 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[[1-[2-(tetrazol-1-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 23551371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).