2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide

C16H17N3O2 — CID 131904053

IUPAC2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccoc1)n1cnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-12(16(20)18(2)9-13-7-8-21-10-13)19-11-17-14-5-3-4-6-15(14)19/h3-8,10-12H,9H2,1-2H3
InChIKeyCKZBTJWMPCPBKX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide

2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide (PubChem CID 131904053) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
PubChem CID131904053
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccoc1)n1cnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-12(16(20)18(2)9-13-7-8-21-10-13)19-11-17-14-5-3-4-6-15(14)19/h3-8,10-12H,9H2,1-2H3
InChIKeyCKZBTJWMPCPBKX-UHFFFAOYSA-N
XLogP2.85
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide 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-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide
CID 46605569
2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 46429703
(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
CID 39115835
2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 50984844
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
CID 94437199
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771254
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576600
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
CID 71618995
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide (CID 131904053) is 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide is CC(C(=O)N(C)Cc1ccoc1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
The InChIKey is CKZBTJWMPCPBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(16(20)18(2)9-13-7-8-21-10-13)19-11-17-14-5-3-4-6-15(14)19/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide?
2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide is sourced from PubChem (CID 131904053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).