5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide

C24H20ClN5O2 — CID 118725678

IUPAC5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C(=O)Nc3ccc(-c4ncc[nH]4)nc3)c2)ccc1Cl
InChIInChI=1S/C24H20ClN5O2/c1-14-3-5-17(29-23(31)16-4-7-20(25)15(2)11-16)12-19(14)24(32)30-18-6-8-21(28-13-18)22-26-9-10-27-22/h3-13H,1-2H3,(H,26,27)(H,29,31)(H,30,32)
InChIKeyANIAQAPOPWXQCX-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.25
Rot. Bonds5

About 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide

5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide (PubChem CID 118725678) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
PubChem CID118725678
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C(=O)Nc3ccc(-c4ncc[nH]4)nc3)c2)ccc1Cl
InChIInChI=1S/C24H20ClN5O2/c1-14-3-5-17(29-23(31)16-4-7-20(25)15(2)11-16)12-19(14)24(32)30-18-6-8-21(28-13-18)22-26-9-10-27-22/h3-13H,1-2H3,(H,26,27)(H,29,31)(H,30,32)
InChIKeyANIAQAPOPWXQCX-UHFFFAOYSA-N
XLogP5.25
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide with MolForge

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Related Compounds

4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339418
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide
CID 173164167
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide (CID 118725678) is 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide is Cc1cc(C(=O)Nc2ccc(C)c(C(=O)Nc3ccc(-c4ncc[nH]4)nc3)c2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is ANIAQAPOPWXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-14-3-5-17(29-23(31)16-4-7-20(25)15(2)11-16)12-19(14)24(32)30-18-6-8-21(28-13-18)22-26-9-10-27-22/h3-13H,1-2H3,(H,26,27)(H,29,31)(H,30,32).
What are the key properties of 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 445.91 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylbenzoyl)amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 118725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).