[4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone

C25H21NO — CID 102576385

IUPAC[4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone
SMILESCc1cccc(Cc2c[nH]c(-c3ccccc3)c2C(=O)c2ccccc2)c1
InChIInChI=1S/C25H21NO/c1-18-9-8-10-19(15-18)16-22-17-26-24(20-11-4-2-5-12-20)23(22)25(27)21-13-6-3-7-14-21/h2-15,17,26H,16H2,1H3
InChIKeyKFZZQBOYJBWFNW-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.81
Rot. Bonds5

About [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone

[4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone (PubChem CID 102576385) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone
PubChem CID102576385
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name[4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone
SMILESCc1cccc(Cc2c[nH]c(-c3ccccc3)c2C(=O)c2ccccc2)c1
InChIInChI=1S/C25H21NO/c1-18-9-8-10-19(15-18)16-22-17-26-24(20-11-4-2-5-12-20)23(22)25(27)21-13-6-3-7-14-21/h2-15,17,26H,16H2,1H3
InChIKeyKFZZQBOYJBWFNW-UHFFFAOYSA-N
XLogP5.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-hydroxy-6-[(3-methylphenyl)methyl]benzoic acid
CID 54516669
4-[(3-methylphenyl)methyl]-1H-pyrrole-3-carbaldehyde
CID 82397823
methyl 3-(benzoylcarbamothioylamino)-4-[(3-methylphenyl)methyl]-1H-pyrrole-2-carboxylate
CID 10319231
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
[2-[(3-methylphenyl)methyl]phenyl] trifluoromethanesulfonate
CID 118088046
2-benzyl-N'-(3-methylbenzoyl)benzohydrazide
CID 44594095
2-[(3-methylphenyl)methylsulfinyl]-1-phenylpropan-1-one
CID 64635692
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
CID 88962487

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone?
The IUPAC name of [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone (CID 102576385) is [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone is Cc1cccc(Cc2c[nH]c(-c3ccccc3)c2C(=O)c2ccccc2)c1.
What is the InChIKey of [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone?
The InChIKey is KFZZQBOYJBWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-18-9-8-10-19(15-18)16-22-17-26-24(20-11-4-2-5-12-20)23(22)25(27)21-13-6-3-7-14-21/h2-15,17,26H,16H2,1H3.
What are the key properties of [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone?
[4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone has a molecular weight of 351.45 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 102576385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).