3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

C16H19Cl2N3O — CID 72892737

IUPAC3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCc1c(Cl)cc(C(=O)N(C)CCCc2nccn2C)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-11-13(17)9-12(10-14(11)18)16(22)21(3)7-4-5-15-19-6-8-20(15)2/h6,8-10H,4-5,7H2,1-3H3
InChIKeyHRDLRGWURITLKK-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.74
Rot. Bonds5

About 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (PubChem CID 72892737) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
PubChem CID72892737
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCc1c(Cl)cc(C(=O)N(C)CCCc2nccn2C)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-11-13(17)9-12(10-14(11)18)16(22)21(3)7-4-5-15-19-6-8-20(15)2/h6,8-10H,4-5,7H2,1-3H3
InChIKeyHRDLRGWURITLKK-UHFFFAOYSA-N
XLogP3.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 56908077
N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 118784969
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836
3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91778192
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
CID 91784001
(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
CID 125158267
3-(3-fluoro-5-methylphenyl)-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea
CID 118794217
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 91792038
5-chloro-N-methyl-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63020903
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70710732
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 60666102

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The IUPAC name of 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (CID 72892737) is 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is Cc1c(Cl)cc(C(=O)N(C)CCCc2nccn2C)cc1Cl.
What is the InChIKey of 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The InChIKey is HRDLRGWURITLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-11-13(17)9-12(10-14(11)18)16(22)21(3)7-4-5-15-19-6-8-20(15)2/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide has a molecular weight of 340.25 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 72892737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).