N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide

C21H26N4O2 — CID 134008720

IUPACN-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(C)CCc2ccccn2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-3-14-24-18-9-4-5-10-19(18)25(21(24)27)16-12-20(26)23(2)15-11-17-8-6-7-13-22-17/h4-10,13H,3,11-12,14-16H2,1-2H3
InChIKeyKBDZJFQVDFVSEF-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.70
Rot. Bonds8

About N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 134008720) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID134008720
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(C)CCc2ccccn2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-3-14-24-18-9-4-5-10-19(18)25(21(24)27)16-12-20(26)23(2)15-11-17-8-6-7-13-22-17/h4-10,13H,3,11-12,14-16H2,1-2H3
InChIKeyKBDZJFQVDFVSEF-UHFFFAOYSA-N
XLogP2.70
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 91648936
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38661995
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309212
2-methyl-N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]benzamide
CID 134008685
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-benzyl-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoic acid
CID 19785085

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 134008720) is N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide is CCCn1c(=O)n(CCC(=O)N(C)CCc2ccccn2)c2ccccc21.
What is the InChIKey of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is KBDZJFQVDFVSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-14-24-18-9-4-5-10-19(18)25(21(24)27)16-12-20(26)23(2)15-11-17-8-6-7-13-22-17/h4-10,13H,3,11-12,14-16H2,1-2H3.
What are the key properties of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 134008720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).