N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide

C24H24ClN5O2 — CID 59871653

IUPACN-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide
SMILESCc1ccc(NC(=O)C2=CC=C(C3=NCCN3C)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H24ClN5O2/c1-15-3-9-20(19(13-15)24(32)29-21-10-8-18(25)14-27-21)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2/h3-4,6,8-10,13-14H,5,7,11-12H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyGOPXOWSNOVWJLI-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.22
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide (PubChem CID 59871653) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide
PubChem CID59871653
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC NameN-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide
SMILESCc1ccc(NC(=O)C2=CC=C(C3=NCCN3C)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H24ClN5O2/c1-15-3-9-20(19(13-15)24(32)29-21-10-8-18(25)14-27-21)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2/h3-4,6,8-10,13-14H,5,7,11-12H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyGOPXOWSNOVWJLI-UHFFFAOYSA-N
XLogP4.22
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
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CID 18727958
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide
CID 142786847
5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 70670957
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CID 11376092
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
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5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11192742
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide (CID 59871653) is N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide is Cc1ccc(NC(=O)C2=CC=C(C3=NCCN3C)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide?
The InChIKey is GOPXOWSNOVWJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-15-3-9-20(19(13-15)24(32)29-21-10-8-18(25)14-27-21)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2/h3-4,6,8-10,13-14H,5,7,11-12H2,1-2H3,(H,28,31)(H,27,29,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide has a molecular weight of 449.94 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide is sourced from PubChem (CID 59871653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).