N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide

C18H25N3O2 — CID 91918229

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCCc1nc2ccccc2n1C)C1CCOCC1
InChIInChI=1S/C18H25N3O2/c1-13(14-8-11-23-12-9-14)18(22)19-10-7-17-20-15-5-3-4-6-16(15)21(17)2/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)
InChIKeyIUMLWWFUPRVMBP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide (PubChem CID 91918229) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
PubChem CID91918229
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCCc1nc2ccccc2n1C)C1CCOCC1
InChIInChI=1S/C18H25N3O2/c1-13(14-8-11-23-12-9-14)18(22)19-10-7-17-20-15-5-3-4-6-16(15)21(17)2/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)
InChIKeyIUMLWWFUPRVMBP-UHFFFAOYSA-N
XLogP2.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 124590456
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide (CID 91918229) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide is CC(C(=O)NCCc1nc2ccccc2n1C)C1CCOCC1.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
The InChIKey is IUMLWWFUPRVMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(14-8-11-23-12-9-14)18(22)19-10-7-17-20-15-5-3-4-6-16(15)21(17)2/h3-6,13-14H,7-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 91918229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).