1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one

C20H22N2O2 — CID 19243606

IUPAC1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2N(C(C)C)C1=O
InChIInChI=1S/C20H22N2O2/c1-14(2)22-18-12-8-7-11-17(18)21(13-15(3)19(22)23)20(24)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3
InChIKeyKCEGJIGERPLGBH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.72
Rot. Bonds2

About 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one

1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 19243606) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID19243606
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2N(C(C)C)C1=O
InChIInChI=1S/C20H22N2O2/c1-14(2)22-18-12-8-7-11-17(18)21(13-15(3)19(22)23)20(24)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3
InChIKeyKCEGJIGERPLGBH-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 19243606) is 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one is CC1CN(C(=O)c2ccccc2)c2ccccc2N(C(C)C)C1=O.
What is the InChIKey of 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is KCEGJIGERPLGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)22-18-12-8-7-11-17(18)21(13-15(3)19(22)23)20(24)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3.
What are the key properties of 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one?
1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 322.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 19243606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).