N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide

C20H21ClN4O — CID 42945317

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
SMILESCN(C)C(CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O/c1-24(2)19(17-5-3-4-6-18(17)21)13-23-20(26)15-7-9-16(10-8-15)25-12-11-22-14-25/h3-12,14,19H,13H2,1-2H3,(H,23,26)
InChIKeySTMSVCOCNUJVLQ-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 42945317) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
PubChem CID42945317
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
SMILESCN(C)C(CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O/c1-24(2)19(17-5-3-4-6-18(17)21)13-23-20(26)15-7-9-16(10-8-15)25-12-11-22-14-25/h3-12,14,19H,13H2,1-2H3,(H,23,26)
InChIKeySTMSVCOCNUJVLQ-UHFFFAOYSA-N
XLogP3.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734
N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 111102738
N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 167974637
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 164690314
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide (CID 42945317) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide is CN(C)C(CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is STMSVCOCNUJVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24(2)19(17-5-3-4-6-18(17)21)13-23-20(26)15-7-9-16(10-8-15)25-12-11-22-14-25/h3-12,14,19H,13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 368.87 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 42945317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).