N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

C24H20ClN5O2 — CID 52692952

IUPACN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C24H20ClN5O2/c1-13-16(14(2)27-24(32)18(13)12-26)8-10-22(31)28-15-7-9-20-21(11-15)30-23(29-20)17-5-3-4-6-19(17)25/h3-7,9,11H,8,10H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyHBMFBVSYOONQBT-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.63
Rot. Bonds5

About N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide

N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 52692952) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID52692952
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC NameN-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C24H20ClN5O2/c1-13-16(14(2)27-24(32)18(13)12-26)8-10-22(31)28-15-7-9-20-21(11-15)30-23(29-20)17-5-3-4-6-19(17)25/h3-7,9,11H,8,10H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyHBMFBVSYOONQBT-UHFFFAOYSA-N
XLogP4.63
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)propanamide
CID 167789601
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 52661400
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 55382076
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
CID 46520113
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(4-fluoro-1H-benzimidazol-2-yl)phenyl]propanamide
CID 167944281
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide
CID 167907220
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 7530470
(2-chlorophenyl) 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 78808908
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 55483862
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 86857878

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (CID 52692952) is N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is HBMFBVSYOONQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-13-16(14(2)27-24(32)18(13)12-26)8-10-22(31)28-15-7-9-20-21(11-15)30-23(29-20)17-5-3-4-6-19(17)25/h3-7,9,11H,8,10H2,1-2H3,(H,27,32)(H,28,31)(H,29,30).
What are the key properties of N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 445.91 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 52692952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).