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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Related Compounds

CID 9419
CID 9419
CID 443945
CID 443945
CID 56654642
CID 56654642
CID 15649435
CID 15649435
CID 10044685
CID 10044685
CID 10030021
CID 10030021
CID 26008
CID 26008
CID 179574
CID 179574
CID 139025450
CID 139025450
CID 258240
CID 258240
CID 74736
CID 74736
CID 15649436
CID 15649436

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).