[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone

C28H22N2O — CID 7103038

IUPAC[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C28H22N2O/c31-28(23-16-8-3-9-17-23)30-26-19-11-10-18-24(26)29-25(21-12-4-1-5-13-21)20-27(30)22-14-6-2-7-15-22/h1-19,27H,20H2/t27-/m1/s1
InChIKeyKFHHONJYQNOKAS-HHHXNRCGSA-N
MW402.50 g/mol
LogP6.60
Rot. Bonds3

About [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone

[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone (PubChem CID 7103038) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone
PubChem CID7103038
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C28H22N2O/c31-28(23-16-8-3-9-17-23)30-26-19-11-10-18-24(26)29-25(21-12-4-1-5-13-21)20-27(30)22-14-6-2-7-15-22/h1-19,27H,20H2/t27-/m1/s1
InChIKeyKFHHONJYQNOKAS-HHHXNRCGSA-N
XLogP6.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]acetic acid
CID 2728690
1-benzoyl-4-phenyl-3H-1,5-benzodiazepin-2-one
CID 681703
1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 40637453
1-[(2S)-2-(4-fluorophenyl)-4-(4-iodophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 1279581
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
[2-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenyl] acetate
CID 101489179
1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 2967936
(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7454978
[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone
CID 134945763
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 846205
1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
CID 101438685

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone?
The IUPAC name of [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone (CID 7103038) is [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone?
The canonical SMILES for [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone?
The InChIKey is KFHHONJYQNOKAS-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H22N2O/c31-28(23-16-8-3-9-17-23)30-26-19-11-10-18-24(26)29-25(21-12-4-1-5-13-21)20-27(30)22-14-6-2-7-15-22/h1-19,27H,20H2/t27-/m1/s1.
What are the key properties of [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone?
[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone has a molecular weight of 402.50 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone is sourced from PubChem (CID 7103038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).