N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide

C14H15N7O — CID 74236568

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C14H15N7O/c22-14(16-6-5-13-7-15-9-17-13)12-3-1-11(2-4-12)8-21-10-18-19-20-21/h1-4,7,9-10H,5-6,8H2,(H,15,17)(H,16,22)
InChIKeyPTDFDFSYKTVLRX-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.42
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 74236568) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID74236568
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C14H15N7O/c22-14(16-6-5-13-7-15-9-17-13)12-3-1-11(2-4-12)8-21-10-18-19-20-21/h1-4,7,9-10H,5-6,8H2,(H,15,17)(H,16,22)
InChIKeyPTDFDFSYKTVLRX-UHFFFAOYSA-N
XLogP0.42
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
N-(2-morpholin-4-ylethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 74238226
N-[2-(1H-imidazol-5-yl)ethyl]-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 125433048
ethyl 5-amino-1-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363368
N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95721087
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74248587
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide (CID 74236568) is N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide is O=C(NCCc1cnc[nH]1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is PTDFDFSYKTVLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c22-14(16-6-5-13-7-15-9-17-13)12-3-1-11(2-4-12)8-21-10-18-19-20-21/h1-4,7,9-10H,5-6,8H2,(H,15,17)(H,16,22).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 297.32 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 74236568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).