N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C19H24N4O2 — CID 86913699

IUPACN-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC2(C#N)CCCC2)c2ccccc21
InChIInChI=1S/C19H24N4O2/c1-2-12-22-15-7-3-4-8-16(15)23(18(22)25)13-9-17(24)21-19(14-20)10-5-6-11-19/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,24)
InChIKeyVVTUKZXJCHQNQU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.56
Rot. Bonds6

About N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 86913699) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID86913699
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC2(C#N)CCCC2)c2ccccc21
InChIInChI=1S/C19H24N4O2/c1-2-12-22-15-7-3-4-8-16(15)23(18(22)25)13-9-17(24)21-19(14-20)10-5-6-11-19/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,24)
InChIKeyVVTUKZXJCHQNQU-UHFFFAOYSA-N
XLogP2.56
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 30417511
N-(1-cyanocyclopentyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 55568964
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24545847
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
N-(1-cyanocyclooctyl)octanamide
CID 60968683
1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18285888
N-(1-cyanocyclopentyl)propanamide
CID 55029198

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 86913699) is N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NC2(C#N)CCCC2)c2ccccc21.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is VVTUKZXJCHQNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-12-22-15-7-3-4-8-16(15)23(18(22)25)13-9-17(24)21-19(14-20)10-5-6-11-19/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,21,24).
What are the key properties of N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 86913699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).