(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide

C18H19N3O2 — CID 94437199

IUPAC(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(Cc1ccco1)C1CC1)n1cnc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-13(21-12-19-16-6-2-3-7-17(16)21)18(22)20(14-8-9-14)11-15-5-4-10-23-15/h2-7,10,12-14H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyDQBBDRKYUISWAP-ZDUSSCGKSA-N
MW309.37 g/mol
LogP3.38
Rot. Bonds5

About (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide

(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 94437199) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
PubChem CID94437199
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)N(Cc1ccco1)C1CC1)n1cnc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-13(21-12-19-16-6-2-3-7-17(16)21)18(22)20(14-8-9-14)11-15-5-4-10-23-15/h2-7,10,12-14H,8-9,11H2,1H3/t13-/m0/s1
InChIKeyDQBBDRKYUISWAP-ZDUSSCGKSA-N
XLogP3.38
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)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-(benzimidazol-1-yl)-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 131904053
2-(benzimidazol-1-yl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 46429703
(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
CID 129432897
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
2-(benzimidazol-1-yl)-N-[(4-tert-butylphenyl)methyl]-N-methylpropanamide
CID 46605569
2-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
CID 106591052
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpentanamide
CID 104684410
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide (CID 94437199) is (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide is C[C@@H](C(=O)N(Cc1ccco1)C1CC1)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is DQBBDRKYUISWAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(21-12-19-16-6-2-3-7-17(16)21)18(22)20(14-8-9-14)11-15-5-4-10-23-15/h2-7,10,12-14H,8-9,11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide?
(2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 94437199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).