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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Related Compounds

4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
Trifenagrel
CID 72164
2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069765
1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 44408021
4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)piperidine
CID 9948238
4-[2-(4-Propylphenoxy)ethyl]-1H-imidazole
CID 10376572
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 10475883
4-[2-(2-Cyanophenoxy)ethyl]-1H-imidazole
CID 10488772

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).