5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide

C19H18N8O — CID 24758149

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C19H18N8O/c20-10-14-11-21-18(22-14)19(28)23-16-7-6-12(9-17-24-26-27-25-17)8-15(16)13-4-2-1-3-5-13/h4,6-8,11H,1-3,5,9H2,(H,21,22)(H,23,28)(H,24,25,26,27)
InChIKeyCQSWZTZGMHRGQZ-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.59
Rot. Bonds5

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24758149) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24758149
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C19H18N8O/c20-10-14-11-21-18(22-14)19(28)23-16-7-6-12(9-17-24-26-27-25-17)8-15(16)13-4-2-1-3-5-13/h4,6-8,11H,1-3,5,9H2,(H,21,22)(H,23,28)(H,24,25,26,27)
InChIKeyCQSWZTZGMHRGQZ-UHFFFAOYSA-N
XLogP2.59
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide (CID 24758149) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(Cc3nn[nH]n3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is CQSWZTZGMHRGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c20-10-14-11-21-18(22-14)19(28)23-16-7-6-12(9-17-24-26-27-25-17)8-15(16)13-4-2-1-3-5-13/h4,6-8,11H,1-3,5,9H2,(H,21,22)(H,23,28)(H,24,25,26,27).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2H-tetrazol-5-ylmethyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24758149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).