2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide

C20H21ClN4O — CID 78823802

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NCc2ncc(Cl)n2C)cc1
InChIInChI=1S/C20H21ClN4O/c1-14-7-9-15(10-8-14)11-24-20(26)16-5-3-4-6-17(16)22-13-19-23-12-18(21)25(19)2/h3-10,12,22H,11,13H2,1-2H3,(H,24,26)
InChIKeyKMGKCAGNQOMDBF-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.92
Rot. Bonds6

About 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide

2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 78823802) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID78823802
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NCc2ncc(Cl)n2C)cc1
InChIInChI=1S/C20H21ClN4O/c1-14-7-9-15(10-8-14)11-24-20(26)16-5-3-4-6-17(16)22-13-19-23-12-18(21)25(19)2/h3-10,12,22H,11,13H2,1-2H3,(H,24,26)
InChIKeyKMGKCAGNQOMDBF-UHFFFAOYSA-N
XLogP3.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-methylbenzamide
CID 78825596
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78817610
N-(5-chloro-2-pyridinyl)-2-[(4-methylphenyl)methylamino]benzamide
CID 142082926
2-[[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112815625
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 56504250
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide
CID 51134395
2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 8010305
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide (CID 78823802) is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NCc2ncc(Cl)n2C)cc1.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is KMGKCAGNQOMDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14-7-9-15(10-8-14)11-24-20(26)16-5-3-4-6-17(16)22-13-19-23-12-18(21)25(19)2/h3-10,12,22H,11,13H2,1-2H3,(H,24,26).
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide?
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 368.87 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 78823802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).