2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine

C17H16N2O — CID 118730033

IUPAC2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine
SMILESCc1ccc2c(c1)-c1nc3cc(C)ccc3n1CCO2
InChIInChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKUARRXMVARNOMN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.71
Rot. Bonds

About 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine

2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine (PubChem CID 118730033) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine.

Molecular Properties

Compound Name2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine
PubChem CID118730033
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine
SMILESCc1ccc2c(c1)-c1nc3cc(C)ccc3n1CCO2
InChIInChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKUARRXMVARNOMN-UHFFFAOYSA-N
XLogP3.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine?
The IUPAC name of 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine (CID 118730033) is 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine.
What is the SMILES notation for 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine?
The canonical SMILES for 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine is Cc1ccc2c(c1)-c1nc3cc(C)ccc3n1CCO2.
What is the InChIKey of 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine?
The InChIKey is KUARRXMVARNOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-4-6-16-13(9-11)17-18-14-10-12(2)3-5-15(14)19(17)7-8-20-16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine?
2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine has a molecular weight of 264.33 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine is sourced from PubChem (CID 118730033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).