N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide

C17H22N4O2 — CID 2235959

IUPACN-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C17H22N4O2/c1-3-21(4-2)12-11-20-17(23)14-8-6-5-7-13(14)15(22)16-18-9-10-19-16/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyUSRDNNJTZJGRBH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.71
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide

N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide (PubChem CID 2235959) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide
PubChem CID2235959
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C17H22N4O2/c1-3-21(4-2)12-11-20-17(23)14-8-6-5-7-13(14)15(22)16-18-9-10-19-16/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyUSRDNNJTZJGRBH-UHFFFAOYSA-N
XLogP1.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-1H-imidazole
CID 186197
1H-Imidazol-2-yl(4-methylphenyl)methanone
CID 3661024
1-{(S)-2-[(S)-2-(1H-Imidazole-2-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidin-1-yl}-4-phenyl-butan-1-one
CID 10364110
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
3-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3145245
4-(1,3-dioxoisoindol-2-yl)-N-(3-imidazol-1-ylpropyl)butanamide
CID 4593448
1H-imidazol-2-yl[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 2841856
4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzamide
CID 9956148
4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(diisobutylamino)butyl]benzamide
CID 10345605
4-({[4-(dipropylamino)butyl]amino}methyl)-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 11648393

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide (CID 2235959) is N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide is CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide?
The InChIKey is USRDNNJTZJGRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-21(4-2)12-11-20-17(23)14-8-6-5-7-13(14)15(22)16-18-9-10-19-16/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)(H,20,23).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide?
N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(1H-imidazole-2-carbonyl)benzamide is sourced from PubChem (CID 2235959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).