N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide

C20H29N3O3 — CID 47066357

IUPACN-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCOC(C)C(=O)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C20H29N3O3/c1-3-25-13-14-26-15(2)19(24)22-20-21-17-11-7-8-12-18(17)23(20)16-9-5-4-6-10-16/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,21,22,24)
InChIKeyVKSQXDFFYVBHSI-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.92
Rot. Bonds8

About N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide

N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide (PubChem CID 47066357) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide
PubChem CID47066357
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide
SMILESCCOCCOC(C)C(=O)Nc1nc2ccccc2n1C1CCCCC1
InChIInChI=1S/C20H29N3O3/c1-3-25-13-14-26-15(2)19(24)22-20-21-17-11-7-8-12-18(17)23(20)16-9-5-4-6-10-16/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,21,22,24)
InChIKeyVKSQXDFFYVBHSI-UHFFFAOYSA-N
XLogP3.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732157
4-amino-N-(1-cyclohexylbenzimidazol-2-yl)pentanamide;hydrochloride
CID 120560614
(2R)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 96532756
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
2-(4-acetamidophenyl)-N-(1-cyclopentylbenzimidazol-2-yl)acetamide
CID 136527419
3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951926
N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55854386
(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
CID 146420832
N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 52655657
cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94103495
(2S)-2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 94033094
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide (CID 47066357) is N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide is CCOCCOC(C)C(=O)Nc1nc2ccccc2n1C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide?
The InChIKey is VKSQXDFFYVBHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-25-13-14-26-15(2)19(24)22-20-21-17-11-7-8-12-18(17)23(20)16-9-5-4-6-10-16/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,21,22,24).
What are the key properties of N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide?
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide has a molecular weight of 359.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide is sourced from PubChem (CID 47066357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).