2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

C29H25N7 — CID 11754522

IUPAC2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2ccc(-c3ccccn3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H25N7/c1-2-7-28-31-26-16-15-22(25-10-5-6-17-30-25)18-27(26)36(28)19-20-11-13-21(14-12-20)23-8-3-4-9-24(23)29-32-34-35-33-29/h3-6,8-18H,2,7,19H2,1H3,(H,32,33,34,35)
InChIKeyPFYMSMASTADICJ-UHFFFAOYSA-N
MW471.57 g/mol
LogP5.95
Rot. Bonds7

About 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 11754522) has the molecular formula C29H25N7 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID11754522
Molecular FormulaC29H25N7
Molecular Weight471.57 g/mol
Exact Mass471.22
IUPAC Name2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCc1nc2ccc(-c3ccccn3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H25N7/c1-2-7-28-31-26-16-15-22(25-10-5-6-17-30-25)18-27(26)36(28)19-20-11-13-21(14-12-20)23-8-3-4-9-24(23)29-32-34-35-33-29/h3-6,8-18H,2,7,19H2,1H3,(H,32,33,34,35)
InChIKeyPFYMSMASTADICJ-UHFFFAOYSA-N
XLogP5.95
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.57
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 11754522) is 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCc1nc2ccc(-c3ccccn3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is PFYMSMASTADICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7/c1-2-7-28-31-26-16-15-22(25-10-5-6-17-30-25)18-27(26)36(28)19-20-11-13-21(14-12-20)23-8-3-4-9-24(23)29-32-34-35-33-29/h3-6,8-18H,2,7,19H2,1H3,(H,32,33,34,35).
What are the key properties of 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 471.57 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 11754522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).