1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one

C29H29N7O — CID 139691089

IUPAC1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one
SMILESCCCc1nc2c(N3CCCCC3=O)cccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H29N7O/c1-2-8-26-30-28-24(35-18-6-5-13-27(35)37)11-7-12-25(28)36(26)19-20-14-16-21(17-15-20)22-9-3-4-10-23(22)29-31-33-34-32-29/h3-4,7,9-12,14-17H,2,5-6,8,13,18-19H2,1H3,(H,31,32,33,34)
InChIKeyDDVGZRBBMGRSSY-UHFFFAOYSA-N
MW491.60 g/mol
LogP5.40
Rot. Bonds7

About 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one

1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one (PubChem CID 139691089) has the molecular formula C29H29N7O and a molecular weight of 491.60 g/mol. Its IUPAC name is 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one
PubChem CID139691089
Molecular FormulaC29H29N7O
Molecular Weight491.60 g/mol
Exact Mass491.24
IUPAC Name1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one
SMILESCCCc1nc2c(N3CCCCC3=O)cccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H29N7O/c1-2-8-26-30-28-24(35-18-6-5-13-27(35)37)11-7-12-25(28)36(26)19-20-14-16-21(17-15-20)22-9-3-4-10-23(22)29-31-33-34-32-29/h3-4,7,9-12,14-17H,2,5-6,8,13,18-19H2,1H3,(H,31,32,33,34)
InChIKeyDDVGZRBBMGRSSY-UHFFFAOYSA-N
XLogP5.40
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole
CID 57133212
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 68722341
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
5-butyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,4,6,9-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-2,8-dione
CID 19391249
3-(2-phenylethyl)-8-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911997
5-pentyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,4,6,9-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-2,8-dione
CID 19391254
3-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 21479139
7-(4-methylphenyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154422744
1-ethyl-8-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione
CID 67911762
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 10834137

Frequently Asked Questions

What is the IUPAC name of 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one?
The IUPAC name of 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one (CID 139691089) is 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one?
The canonical SMILES for 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one is CCCc1nc2c(N3CCCCC3=O)cccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one?
The InChIKey is DDVGZRBBMGRSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O/c1-2-8-26-30-28-24(35-18-6-5-13-27(35)37)11-7-12-25(28)36(26)19-20-14-16-21(17-15-20)22-9-3-4-10-23(22)29-31-33-34-32-29/h3-4,7,9-12,14-17H,2,5-6,8,13,18-19H2,1H3,(H,31,32,33,34).
What are the key properties of 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one?
1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one has a molecular weight of 491.60 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one is sourced from PubChem (CID 139691089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).