N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide

C19H17N7O — CID 9119802

IUPACN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17N7O/c1-14(15-6-8-16(9-7-15)25-11-10-20-12-25)22-19(27)17-4-2-3-5-18(17)26-13-21-23-24-26/h2-14H,1H3,(H,22,27)/t14-/m1/s1
InChIKeyVUMNJMBKOQDSPT-CQSZACIVSA-N
MW359.39 g/mol
LogP2.34
Rot. Bonds5

About N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 9119802) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID9119802
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17N7O/c1-14(15-6-8-16(9-7-15)25-11-10-20-12-25)22-19(27)17-4-2-3-5-18(17)26-13-21-23-24-26/h2-14H,1H3,(H,22,27)/t14-/m1/s1
InChIKeyVUMNJMBKOQDSPT-CQSZACIVSA-N
XLogP2.34
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2-(tetrazol-1-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 71829200
2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247813
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide
CID 18291718

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 9119802) is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is C[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is VUMNJMBKOQDSPT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17N7O/c1-14(15-6-8-16(9-7-15)25-11-10-20-12-25)22-19(27)17-4-2-3-5-18(17)26-13-21-23-24-26/h2-14H,1H3,(H,22,27)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 9119802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).