2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide

C22H17Cl2N5O2 — CID 54430863

IUPAC2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)Nc1ccncc1
InChIInChI=1S/C22H17Cl2N5O2/c1-13-26-21-17(28-22(31)20-15(23)4-2-5-16(20)24)6-3-7-18(21)29(13)12-19(30)27-14-8-10-25-11-9-14/h2-11H,12H2,1H3,(H,28,31)(H,25,27,30)
InChIKeyWHJKGVKTIKFVQN-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.94
Rot. Bonds5

About 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide

2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide (PubChem CID 54430863) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide
PubChem CID54430863
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC Name2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)Nc1ccncc1
InChIInChI=1S/C22H17Cl2N5O2/c1-13-26-21-17(28-22(31)20-15(23)4-2-5-16(20)24)6-3-7-18(21)29(13)12-19(30)27-14-8-10-25-11-9-14/h2-11H,12H2,1H3,(H,28,31)(H,25,27,30)
InChIKeyWHJKGVKTIKFVQN-UHFFFAOYSA-N
XLogP4.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride
CID 67637912
4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide
CID 67651985
2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide
CID 139815618
2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide
CID 67636495
2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid
CID 67627824
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
CID 52899114
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
2,6-dichloro-N-[2-cyano-1-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]benzimidazol-4-yl]benzamide
CID 139815633
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
N-(3-chlorophenyl)-2-(5-methyl-7-oxo-3-pyridin-4-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 53148061
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide (CID 54430863) is 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)Nc1ccncc1.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide?
The InChIKey is WHJKGVKTIKFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c1-13-26-21-17(28-22(31)20-15(23)4-2-5-16(20)24)6-3-7-18(21)29(13)12-19(30)27-14-8-10-25-11-9-14/h2-11H,12H2,1H3,(H,28,31)(H,25,27,30).
What are the key properties of 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide?
2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide has a molecular weight of 454.32 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide is sourced from PubChem (CID 54430863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).