N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

C22H26N4O — CID 118784969

IUPACN-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)N(C)CCCc3nccn3C)c2)cc1
InChIInChI=1S/C22H26N4O/c1-23-20-11-9-17(10-12-20)18-6-4-7-19(16-18)22(27)26(3)14-5-8-21-24-13-15-25(21)2/h4,6-7,9-13,15-16,23H,5,8,14H2,1-3H3
InChIKeyOKMCGHWWAAIKRY-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.83
Rot. Bonds7

About N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (PubChem CID 118784969) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
PubChem CID118784969
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCNc1ccc(-c2cccc(C(=O)N(C)CCCc3nccn3C)c2)cc1
InChIInChI=1S/C22H26N4O/c1-23-20-11-9-17(10-12-20)18-6-4-7-19(16-18)22(27)26(3)14-5-8-21-24-13-15-25(21)2/h4,6-7,9-13,15-16,23H,5,8,14H2,1-3H3
InChIKeyOKMCGHWWAAIKRY-UHFFFAOYSA-N
XLogP3.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91778192
3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
CID 118777151
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 56908077
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70736552
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]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70710732
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
CID 91784001
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
CID 70790159
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The IUPAC name of N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (CID 118784969) is N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The canonical SMILES for N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is CNc1ccc(-c2cccc(C(=O)N(C)CCCc3nccn3C)c2)cc1.
What is the InChIKey of N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The InChIKey is OKMCGHWWAAIKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-23-20-11-9-17(10-12-20)18-6-4-7-19(16-18)22(27)26(3)14-5-8-21-24-13-15-25(21)2/h4,6-7,9-13,15-16,23H,5,8,14H2,1-3H3.
What are the key properties of N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide has a molecular weight of 362.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 118784969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).