N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

C21H22N4O2 — CID 155945580

IUPACN-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C21H22N4O2/c1-15-9-16(2)11-18(10-15)21(27)23-12-20(26)24-19-5-3-17(4-6-19)13-25-8-7-22-14-25/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyFGUQAYRHKXYOTM-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.92
Rot. Bonds6

About N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 155945580) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID155945580
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C21H22N4O2/c1-15-9-16(2)11-18(10-15)21(27)23-12-20(26)24-19-5-3-17(4-6-19)13-25-8-7-22-14-25/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyFGUQAYRHKXYOTM-UHFFFAOYSA-N
XLogP2.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166211543
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55346201
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 155945580) is N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is FGUQAYRHKXYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-9-16(2)11-18(10-15)21(27)23-12-20(26)24-19-5-3-17(4-6-19)13-25-8-7-22-14-25/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 155945580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).