N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C22H28FN3O — CID 20904946

IUPACN-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCN(C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2)C1CCCCC1
InChIInChI=1S/C22H28FN3O/c1-25(18-11-4-2-5-12-18)22(27)20-19-13-6-3-7-14-26(19)21(24-20)16-9-8-10-17(23)15-16/h8-10,15,18H,2-7,11-14H2,1H3
InChIKeyMRDOXHNOLSYFRI-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.82
Rot. Bonds3

About N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 20904946) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
PubChem CID20904946
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCN(C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2)C1CCCCC1
InChIInChI=1S/C22H28FN3O/c1-25(18-11-4-2-5-12-18)22(27)20-19-13-6-3-7-14-26(19)21(24-20)16-9-8-10-17(23)15-16/h8-10,15,18H,2-7,11-14H2,1H3
InChIKeyMRDOXHNOLSYFRI-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 20904946) is N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is CN(C(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The InChIKey is MRDOXHNOLSYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25(18-11-4-2-5-12-18)22(27)20-19-13-6-3-7-14-26(19)21(24-20)16-9-8-10-17(23)15-16/h8-10,15,18H,2-7,11-14H2,1H3.
What are the key properties of N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-fluorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 20904946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).