(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone

C25H26N2O2 — CID 91911914

IUPAC(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCN(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H26N2O2/c1-29-24-15-8-5-12-21(24)25(28)27-18-9-17-26(22-13-6-7-14-23(22)27)19-16-20-10-3-2-4-11-20/h2-8,10-15H,9,16-19H2,1H3
InChIKeyMFLINFNXBOGQJF-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.79
Rot. Bonds5

About (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone

(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone (PubChem CID 91911914) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
PubChem CID91911914
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCCN(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C25H26N2O2/c1-29-24-15-8-5-12-21(24)25(28)27-18-9-17-26(22-13-6-7-14-23(22)27)19-16-20-10-3-2-4-11-20/h2-8,10-15H,9,16-19H2,1H3
InChIKeyMFLINFNXBOGQJF-UHFFFAOYSA-N
XLogP4.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
1-[1-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-3-phenylpropan-1-one
CID 91924125
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
(2,6-dimethoxyphenyl)-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361448
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123
(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751870
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361480
2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone (CID 91911914) is (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone is COc1ccccc1C(=O)N1CCCN(CCc2ccccc2)c2ccccc21.
What is the InChIKey of (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The InChIKey is MFLINFNXBOGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-24-15-8-5-12-21(24)25(28)27-18-9-17-26(22-13-6-7-14-23(22)27)19-16-20-10-3-2-4-11-20/h2-8,10-15H,9,16-19H2,1H3.
What are the key properties of (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone is sourced from PubChem (CID 91911914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).