3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

C20H19Cl2N3O — CID 100595725

IUPAC3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3O/c1-14-23-10-11-25(14)19-5-3-2-4-16(19)13-24-20(26)9-7-15-6-8-17(21)18(22)12-15/h2-6,8,10-12H,7,9,13H2,1H3,(H,24,26)
InChIKeyKRCPEGXOYCSLBB-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.74
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (PubChem CID 100595725) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
PubChem CID100595725
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3O/c1-14-23-10-11-25(14)19-5-3-2-4-16(19)13-24-20(26)9-7-15-6-8-17(21)18(22)12-15/h2-6,8,10-12H,7,9,13H2,1H3,(H,24,26)
InChIKeyKRCPEGXOYCSLBB-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43910298
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 46778113
2-(3-chloro-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92677663
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
3-(azepan-1-ylsulfonyl)-4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 38008845
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (CID 100595725) is 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is Cc1nccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is KRCPEGXOYCSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-14-23-10-11-25(14)19-5-3-2-4-16(19)13-24-20(26)9-7-15-6-8-17(21)18(22)12-15/h2-6,8,10-12H,7,9,13H2,1H3,(H,24,26).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 388.30 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 100595725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).