N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide

C18H21N7O2 — CID 91079255

IUPACN-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide
SMILESCCN(C(=O)n1cnc(-c2cccc(-c3nn[nH]n3)c2)c1)C1CCOCC1
InChIInChI=1S/C18H21N7O2/c1-2-25(15-6-8-27-9-7-15)18(26)24-11-16(19-12-24)13-4-3-5-14(10-13)17-20-22-23-21-17/h3-5,10-12,15H,2,6-9H2,1H3,(H,20,21,22,23)
InChIKeyBHXKUBYBMLOICY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.20
Rot. Bonds4

About N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide

N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide (PubChem CID 91079255) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide
PubChem CID91079255
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide
SMILESCCN(C(=O)n1cnc(-c2cccc(-c3nn[nH]n3)c2)c1)C1CCOCC1
InChIInChI=1S/C18H21N7O2/c1-2-25(15-6-8-27-9-7-15)18(26)24-11-16(19-12-24)13-4-3-5-14(10-13)17-20-22-23-21-17/h3-5,10-12,15H,2,6-9H2,1H3,(H,20,21,22,23)
InChIKeyBHXKUBYBMLOICY-UHFFFAOYSA-N
XLogP2.20
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide (CID 91079255) is N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide is CCN(C(=O)n1cnc(-c2cccc(-c3nn[nH]n3)c2)c1)C1CCOCC1.
What is the InChIKey of N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
The InChIKey is BHXKUBYBMLOICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-25(15-6-8-27-9-7-15)18(26)24-11-16(19-12-24)13-4-3-5-14(10-13)17-20-22-23-21-17/h3-5,10-12,15H,2,6-9H2,1H3,(H,20,21,22,23).
What are the key properties of N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide?
N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-4-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 91079255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).