1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine

C24H19N5 — CID 67815987

IUPAC1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine
SMILESC1=Cc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C=C1
InChIInChI=1S/C24H19N5/c1-4-11-23-20(7-1)8-5-6-16-29(23)17-18-12-14-19(15-13-18)21-9-2-3-10-22(21)24-25-27-28-26-24/h1-16H,17H2,(H,25,26,27,28)
InChIKeyGRWNEGPPVUKGKH-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.08
Rot. Bonds4

About 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine

1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine (PubChem CID 67815987) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine.

Molecular Properties

Compound Name1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine
PubChem CID67815987
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine
SMILESC1=Cc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C=C1
InChIInChI=1S/C24H19N5/c1-4-11-23-20(7-1)8-5-6-16-29(23)17-18-12-14-19(15-13-18)21-9-2-3-10-22(21)24-25-27-28-26-24/h1-16H,17H2,(H,25,26,27,28)
InChIKeyGRWNEGPPVUKGKH-UHFFFAOYSA-N
XLogP5.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 68636440
5-methyl-N-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidin-2-imine
CID 57000351
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole
CID 10835002
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine
CID 154446110
5,5-dimethyl-2-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
CID 67903159
4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
CID 54726671
2-[4-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]phenyl]benzonitrile
CID 176681364
2-[5-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethanethial
CID 19903802
5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
CID 15289541
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608
5-[2-[4-[(2-propyl-4-pyrrol-1-ylimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 14962848

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine?
The IUPAC name of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine (CID 67815987) is 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine.
What is the SMILES notation for 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine?
The canonical SMILES for 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine is C1=Cc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C=C1.
What is the InChIKey of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine?
The InChIKey is GRWNEGPPVUKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-4-11-23-20(7-1)8-5-6-16-29(23)17-18-12-14-19(15-13-18)21-9-2-3-10-22(21)24-25-27-28-26-24/h1-16H,17H2,(H,25,26,27,28).
What are the key properties of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine?
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine has a molecular weight of 377.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine is sourced from PubChem (CID 67815987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).