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

C17H17N5O2 — CID 136693386

IUPAC(7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ncc[nH]3)[nH]c2C1
InChIInChI=1S/C17H17N5O2/c1-24-13-5-3-2-4-11(13)10-8-12-14(17(23)20-9-10)22-16(21-12)15-18-6-7-19-15/h2-7,10H,8-9H2,1H3,(H,18,19)(H,20,23)(H,21,22)/t10-/m0/s1
InChIKeyWBFPIMSMPSGZLV-JTQLQIEISA-N
MW323.36 g/mol
LogP1.88
Rot. Bonds3

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

(7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 136693386) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name(7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID136693386
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESCOc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ncc[nH]3)[nH]c2C1
InChIInChI=1S/C17H17N5O2/c1-24-13-5-3-2-4-11(13)10-8-12-14(17(23)20-9-10)22-16(21-12)15-18-6-7-19-15/h2-7,10H,8-9H2,1H3,(H,18,19)(H,20,23)(H,21,22)/t10-/m0/s1
InChIKeyWBFPIMSMPSGZLV-JTQLQIEISA-N
XLogP1.88
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-7-(2-methoxyphenyl)-2-pyrimidin-4-yl-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 97195909
(7S)-7-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 136861492
(7R)-7-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepine-2-carboxamide
CID 95131410
7-(2-methoxyphenyl)-2-(phenoxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 50960747
(7R)-2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 136822761
2-(ethylsulfanylmethyl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 50972315
(7S)-7-(2-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 97189519
(7R)-7-(2-methoxyphenyl)-2-(piperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 95124126
2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 50960920
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
(7S)-7-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 97190485
(7R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 136882327

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 136693386) is (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ncc[nH]3)[nH]c2C1.
What is the InChIKey of (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is WBFPIMSMPSGZLV-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-13-5-3-2-4-11(13)10-8-12-14(17(23)20-9-10)22-16(21-12)15-18-6-7-19-15/h2-7,10H,8-9H2,1H3,(H,18,19)(H,20,23)(H,21,22)/t10-/m0/s1.
What are the key properties of (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
(7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 323.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(1H-imidazol-2-yl)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 136693386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).