N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide

C18H21N7O — CID 66683085

IUPACN-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(-c3nn[nH]n3)cc2)c1)C1CCCCC1
InChIInChI=1S/C18H21N7O/c1-24(15-5-3-2-4-6-15)18(26)25-11-16(19-12-25)13-7-9-14(10-8-13)17-20-22-23-21-17/h7-12,15H,2-6H2,1H3,(H,20,21,22,23)
InChIKeyLVEPNKPKBVFZQT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds3

About N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide

N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide (PubChem CID 66683085) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide
PubChem CID66683085
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(-c3nn[nH]n3)cc2)c1)C1CCCCC1
InChIInChI=1S/C18H21N7O/c1-24(15-5-3-2-4-6-15)18(26)25-11-16(19-12-25)13-7-9-14(10-8-13)17-20-22-23-21-17/h7-12,15H,2-6H2,1H3,(H,20,21,22,23)
InChIKeyLVEPNKPKBVFZQT-UHFFFAOYSA-N
XLogP2.96
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide (CID 66683085) is N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccc(-c3nn[nH]n3)cc2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
The InChIKey is LVEPNKPKBVFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-24(15-5-3-2-4-6-15)18(26)25-11-16(19-12-25)13-7-9-14(10-8-13)17-20-22-23-21-17/h7-12,15H,2-6H2,1H3,(H,20,21,22,23).
What are the key properties of N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 66683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).