4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol

C10H12N2O — CID 177394010

IUPAC4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol
SMILESCC1=Nc2ccccc2NC(O)C1
InChIInChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,10,12-13H,6H2,1H3
InChIKeyXSLLMWSRNAPIMC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.91
Rot. Bonds

About 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol

4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol (PubChem CID 177394010) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol
PubChem CID177394010
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol
SMILESCC1=Nc2ccccc2NC(O)C1
InChIInChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,10,12-13H,6H2,1H3
InChIKeyXSLLMWSRNAPIMC-UHFFFAOYSA-N
XLogP1.91
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Butanol,3-(methylamino)-4-(phenylamino)-,(s)-
CID 13023608
Phenylaminopropanol
CID 13783362
2,3-dihydro-1H-1,5-benzodiazepine
CID 15618161
Phenylaminohexanol
CID 53846807
2,3-Dimethyl-1,2-dihydroquinoxaline
CID 56998452
2-Methylquinoxalinol
CID 69307153
o-Aminophenylaminocarbinol
CID 117905925
2-Hydroxydihydrochinoxalin
CID 129632420
N-(23-hydroxypropyl)-o-phenylenediamine
CID 129888890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol?
The IUPAC name of 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol (CID 177394010) is 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol is CC1=Nc2ccccc2NC(O)C1.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol?
The InChIKey is XSLLMWSRNAPIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,10,12-13H,6H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol?
4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol has a molecular weight of 176.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-ol is sourced from PubChem (CID 177394010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).