N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C19H27N3O3 — CID 111331415

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCC2(O)CCCC2)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-2-12-21-15-7-3-4-8-16(15)22(18(21)24)13-9-17(23)20-14-19(25)10-5-6-11-19/h3-4,7-8,25H,2,5-6,9-14H2,1H3,(H,20,23)
InChIKeyCVBSFJVRGKPTFX-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.02
Rot. Bonds7

About N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 111331415) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID111331415
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCC2(O)CCCC2)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-2-12-21-15-7-3-4-8-16(15)22(18(21)24)13-9-17(23)20-14-19(25)10-5-6-11-19/h3-4,7-8,25H,2,5-6,9-14H2,1H3,(H,20,23)
InChIKeyCVBSFJVRGKPTFX-UHFFFAOYSA-N
XLogP2.02
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 86913699
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 30417511
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 111445552
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 111428641
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119556281
4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119251628

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 111331415) is N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NCC2(O)CCCC2)c2ccccc21.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is CVBSFJVRGKPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-12-21-15-7-3-4-8-16(15)22(18(21)24)13-9-17(23)20-14-19(25)10-5-6-11-19/h3-4,7-8,25H,2,5-6,9-14H2,1H3,(H,20,23).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 111331415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).