4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

C28H28N4O — CID 28631742

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C28H28N4O/c1-21-29-16-18-32(21)27-11-5-3-8-25(27)19-30-28(33)24-14-12-22(13-15-24)20-31-17-6-9-23-7-2-4-10-26(23)31/h2-5,7-8,10-16,18H,6,9,17,19-20H2,1H3,(H,30,33)
InChIKeyYDIDRKCWNLGSAR-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.06
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (PubChem CID 28631742) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
PubChem CID28631742
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C28H28N4O/c1-21-29-16-18-32(21)27-11-5-3-8-25(27)19-30-28(33)24-14-12-22(13-15-24)20-31-17-6-9-23-7-2-4-10-26(23)31/h2-5,7-8,10-16,18H,6,9,17,19-20H2,1H3,(H,30,33)
InChIKeyYDIDRKCWNLGSAR-UHFFFAOYSA-N
XLogP5.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide 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

4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 46772071
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
3-(azepan-1-ylsulfonyl)-4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 38008845
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-(dimethylamino)propyl]benzamide
CID 92682379
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46773623
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 43910024
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 92682372
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 48735006

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (CID 28631742) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is YDIDRKCWNLGSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c1-21-29-16-18-32(21)27-11-5-3-8-25(27)19-30-28(33)24-14-12-22(13-15-24)20-31-17-6-9-23-7-2-4-10-26(23)31/h2-5,7-8,10-16,18H,6,9,17,19-20H2,1H3,(H,30,33).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 28631742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).