(4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C19H22N2O — CID 121271762

IUPAC(4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCC(C)c1ccc(-c2cccc3c2N[C@H](C)CC(=O)N3)cc1
InChIInChI=1S/C19H22N2O/c1-12(2)14-7-9-15(10-8-14)16-5-4-6-17-19(16)20-13(3)11-18(22)21-17/h4-10,12-13,20H,11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyHYFIUDHDPSSCBF-CYBMUJFWSA-N
MW294.40 g/mol
LogP4.62
Rot. Bonds2

About (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121271762) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121271762
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCC(C)c1ccc(-c2cccc3c2N[C@H](C)CC(=O)N3)cc1
InChIInChI=1S/C19H22N2O/c1-12(2)14-7-9-15(10-8-14)16-5-4-6-17-19(16)20-13(3)11-18(22)21-17/h4-10,12-13,20H,11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyHYFIUDHDPSSCBF-CYBMUJFWSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121271762) is (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is CC(C)c1ccc(-c2cccc3c2N[C@H](C)CC(=O)N3)cc1.
What is the InChIKey of (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is HYFIUDHDPSSCBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O/c1-12(2)14-7-9-15(10-8-14)16-5-4-6-17-19(16)20-13(3)11-18(22)21-17/h4-10,12-13,20H,11H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 294.40 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121271762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).