2,4-dimethyl-3H-1,5-benzodiazepin-6-ol

C11H12N2O — CID 11401226

IUPAC2,4-dimethyl-3H-1,5-benzodiazepin-6-ol
SMILESCC1=Nc2cccc(O)c2N=C(C)C1
InChIInChI=1S/C11H12N2O/c1-7-6-8(2)13-11-9(12-7)4-3-5-10(11)14/h3-5,14H,6H2,1-2H3
InChIKeyJZVDBPAQWANVJM-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.98
Rot. Bonds

About 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol

2,4-dimethyl-3H-1,5-benzodiazepin-6-ol (PubChem CID 11401226) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol.

Molecular Properties

Compound Name2,4-dimethyl-3H-1,5-benzodiazepin-6-ol
PubChem CID11401226
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,4-dimethyl-3H-1,5-benzodiazepin-6-ol
SMILESCC1=Nc2cccc(O)c2N=C(C)C1
InChIInChI=1S/C11H12N2O/c1-7-6-8(2)13-11-9(12-7)4-3-5-10(11)14/h3-5,14H,6H2,1-2H3
InChIKeyJZVDBPAQWANVJM-UHFFFAOYSA-N
XLogP2.98
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol?
The IUPAC name of 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol (CID 11401226) is 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol.
What is the SMILES notation for 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol?
The canonical SMILES for 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol is CC1=Nc2cccc(O)c2N=C(C)C1.
What is the InChIKey of 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol?
The InChIKey is JZVDBPAQWANVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-6-8(2)13-11-9(12-7)4-3-5-10(11)14/h3-5,14H,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol?
2,4-dimethyl-3H-1,5-benzodiazepin-6-ol has a molecular weight of 188.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3H-1,5-benzodiazepin-6-ol is sourced from PubChem (CID 11401226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).