5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole

C24H23N7 — CID 14962848

IUPAC5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCc1nc(-n2cccc2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7/c1-2-7-22-25-23(30-14-5-6-15-30)17-31(22)16-18-10-12-19(13-11-18)20-8-3-4-9-21(20)24-26-28-29-27-24/h3-6,8-15,17H,2,7,16H2,1H3,(H,26,27,28,29)
InChIKeySBEWCSMKAPOSPR-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.52
Rot. Bonds7

About 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole

5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole (PubChem CID 14962848) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
PubChem CID14962848
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCc1nc(-n2cccc2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7/c1-2-7-22-25-23(30-14-5-6-15-30)17-31(22)16-18-10-12-19(13-11-18)20-8-3-4-9-21(20)24-26-28-29-27-24/h3-6,8-15,17H,2,7,16H2,1H3,(H,26,27,28,29)
InChIKeySBEWCSMKAPOSPR-UHFFFAOYSA-N
XLogP4.52
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[2-[4-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903677
5-[2-[4-[(5-propyl-3-thiophen-3-yl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 70277538
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
6-ethyl-2-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 10693016
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608
2-[5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethanethial
CID 19903802
methyl 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]thiophene-3-carboxylate
CID 23363063
5-[2-[4-[(5-ethyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903876

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole (CID 14962848) is 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole is CCCc1nc(-n2cccc2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The InChIKey is SBEWCSMKAPOSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-2-7-22-25-23(30-14-5-6-15-30)17-31(22)16-18-10-12-19(13-11-18)20-8-3-4-9-21(20)24-26-28-29-27-24/h3-6,8-15,17H,2,7,16H2,1H3,(H,26,27,28,29).
What are the key properties of 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole has a molecular weight of 409.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 14962848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).