(4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C19H17N3O2 — CID 71874012

IUPAC(4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc2c(c1)OCCN2C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17N3O2/c1-14-2-7-17-18(12-14)24-11-10-22(17)19(23)15-3-5-16(6-4-15)21-9-8-20-13-21/h2-9,12-13H,10-11H2,1H3
InChIKeyKVXDVFAZQQOVIY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.22
Rot. Bonds2

About (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 71874012) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID71874012
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc2c(c1)OCCN2C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17N3O2/c1-14-2-7-17-18(12-14)24-11-10-22(17)19(23)15-3-5-16(6-4-15)21-9-8-20-13-21/h2-9,12-13H,10-11H2,1H3
InChIKeyKVXDVFAZQQOVIY-UHFFFAOYSA-N
XLogP3.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 71874012) is (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is Cc1ccc2c(c1)OCCN2C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is KVXDVFAZQQOVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14-2-7-17-18(12-14)24-11-10-22(17)19(23)15-3-5-16(6-4-15)21-9-8-20-13-21/h2-9,12-13H,10-11H2,1H3.
What are the key properties of (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 71874012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).