(7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

C19H20FN5O2 — CID 95148186

IUPAC(7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOCCn1cncc1-c1nc2c([nH]1)C[C@H](c1ccc(F)cc1)CNC2=O
InChIInChI=1S/C19H20FN5O2/c1-27-7-6-25-11-21-10-16(25)18-23-15-8-13(9-22-19(26)17(15)24-18)12-2-4-14(20)5-3-12/h2-5,10-11,13H,6-9H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyVFHGIVFLNZESDM-ZDUSSCGKSA-N
MW369.40 g/mol
LogP2.13
Rot. Bonds5

About (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

(7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 95148186) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name(7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID95148186
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name(7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOCCn1cncc1-c1nc2c([nH]1)C[C@H](c1ccc(F)cc1)CNC2=O
InChIInChI=1S/C19H20FN5O2/c1-27-7-6-25-11-21-10-16(25)18-23-15-8-13(9-22-19(26)17(15)24-18)12-2-4-14(20)5-3-12/h2-5,10-11,13H,6-9H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyVFHGIVFLNZESDM-ZDUSSCGKSA-N
XLogP2.13
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 95148186) is (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is COCCn1cncc1-c1nc2c([nH]1)C[C@H](c1ccc(F)cc1)CNC2=O.
What is the InChIKey of (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is VFHGIVFLNZESDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-27-7-6-25-11-21-10-16(25)18-23-15-8-13(9-22-19(26)17(15)24-18)12-2-4-14(20)5-3-12/h2-5,10-11,13H,6-9H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1.
What are the key properties of (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
(7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 369.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 95148186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).