N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

C13H13N7O — CID 60557169

IUPACN-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCn1ccnc1-c1cccc(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C13H13N7O/c1-19-6-5-14-13(19)10-3-2-4-11(7-10)16-12(21)8-20-9-15-17-18-20/h2-7,9H,8H2,1H3,(H,16,21)
InChIKeyAQQUDBDFIZVURH-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.71
Rot. Bonds4

About N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 60557169) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID60557169
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCn1ccnc1-c1cccc(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C13H13N7O/c1-19-6-5-14-13(19)10-3-2-4-11(7-10)16-12(21)8-20-9-15-17-18-20/h2-7,9H,8H2,1H3,(H,16,21)
InChIKeyAQQUDBDFIZVURH-UHFFFAOYSA-N
XLogP0.71
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 28739859
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 71992331
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
CID 136530773
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 134042808

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (CID 60557169) is N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is Cn1ccnc1-c1cccc(NC(=O)Cn2cnnn2)c1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is AQQUDBDFIZVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-19-6-5-14-13(19)10-3-2-4-11(7-10)16-12(21)8-20-9-15-17-18-20/h2-7,9H,8H2,1H3,(H,16,21).
What are the key properties of N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 283.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 60557169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).