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

C23H24N2O — CID 22341800

IUPAC5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC(C)N1C(C)c2ccccc2NC(=O)C1c1cccc2ccccc12
InChIInChI=1S/C23H24N2O/c1-15(2)25-16(3)18-11-6-7-14-21(18)24-23(26)22(25)20-13-8-10-17-9-4-5-12-19(17)20/h4-16,22H,1-3H3,(H,24,26)
InChIKeyNVCDTFWTFRCJPZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.30
Rot. Bonds2

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

5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 22341800) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID22341800
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCC(C)N1C(C)c2ccccc2NC(=O)C1c1cccc2ccccc12
InChIInChI=1S/C23H24N2O/c1-15(2)25-16(3)18-11-6-7-14-21(18)24-23(26)22(25)20-13-8-10-17-9-4-5-12-19(17)20/h4-16,22H,1-3H3,(H,24,26)
InChIKeyNVCDTFWTFRCJPZ-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101199621
3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione
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3-(2-methylpentyl)-1,3-dihydroindol-2-one
CID 106986975
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
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CID 22380583
(6R,11bS)-6-naphthalen-1-yl-3-prop-2-enylsulfanyl-2,6,7,11b-tetrahydro-[1,2,4]triazino[1,6-c]quinazolin-1-one
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3-(2-phenylpropylamino)-1,3-dihydroindol-2-one
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(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 22341800) is 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CC(C)N1C(C)c2ccccc2NC(=O)C1c1cccc2ccccc12.
What is the InChIKey of 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is NVCDTFWTFRCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-15(2)25-16(3)18-11-6-7-14-21(18)24-23(26)22(25)20-13-8-10-17-9-4-5-12-19(17)20/h4-16,22H,1-3H3,(H,24,26).
What are the key properties of 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 344.46 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 22341800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).