2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

C15H19N3O — CID 126464538

IUPAC2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCc1cnc(CN2Cc3ccccc3OC(C)C2)[nH]1
InChIInChI=1S/C15H19N3O/c1-11-7-16-15(17-11)10-18-8-12(2)19-14-6-4-3-5-13(14)9-18/h3-7,12H,8-10H2,1-2H3,(H,16,17)
InChIKeyRBOMACAZXCVRDX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.50
Rot. Bonds2

About 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 126464538) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID126464538
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCc1cnc(CN2Cc3ccccc3OC(C)C2)[nH]1
InChIInChI=1S/C15H19N3O/c1-11-7-16-15(17-11)10-18-8-12(2)19-14-6-4-3-5-13(14)9-18/h3-7,12H,8-10H2,1-2H3,(H,16,17)
InChIKeyRBOMACAZXCVRDX-UHFFFAOYSA-N
XLogP2.50
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine (CID 126464538) is 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine is Cc1cnc(CN2Cc3ccccc3OC(C)C2)[nH]1.
What is the InChIKey of 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is RBOMACAZXCVRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-7-16-15(17-11)10-18-8-12(2)19-14-6-4-3-5-13(14)9-18/h3-7,12H,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 257.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 126464538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).