4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide

C12H12N8O — CID 167853636

IUPAC4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1ccc(Nn2ccnc2)cc1
InChIInChI=1S/C12H12N8O/c21-12(14-7-11-15-18-19-16-11)9-1-3-10(4-2-9)17-20-6-5-13-8-20/h1-6,8,17H,7H2,(H,14,21)(H,15,16,18,19)
InChIKeyAWJSTFOYNSICRO-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.20
Rot. Bonds5

About 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide

4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 167853636) has the molecular formula C12H12N8O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID167853636
Molecular FormulaC12H12N8O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1ccc(Nn2ccnc2)cc1
InChIInChI=1S/C12H12N8O/c21-12(14-7-11-15-18-19-16-11)9-1-3-10(4-2-9)17-20-6-5-13-8-20/h1-6,8,17H,7H2,(H,14,21)(H,15,16,18,19)
InChIKeyAWJSTFOYNSICRO-UHFFFAOYSA-N
XLogP0.20
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 167853636) is 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide is O=C(NCc1nn[nH]n1)c1ccc(Nn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is AWJSTFOYNSICRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8O/c21-12(14-7-11-15-18-19-16-11)9-1-3-10(4-2-9)17-20-6-5-13-8-20/h1-6,8,17H,7H2,(H,14,21)(H,15,16,18,19).
What are the key properties of 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 284.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 167853636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).