(2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide

C18H24N4O2 — CID 164632663

IUPAC(2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1cccc2c1nc(NC(=O)[C@H](C1CC1)N1CCCC1)n2C
InChIInChI=1S/C18H24N4O2/c1-21-13-6-5-7-14(24-2)15(13)19-18(21)20-17(23)16(12-8-9-12)22-10-3-4-11-22/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,19,20,23)/t16-/m0/s1
InChIKeyOWFAGCHRHFJVNN-INIZCTEOSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds5

About (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide

(2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 164632663) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID164632663
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1cccc2c1nc(NC(=O)[C@H](C1CC1)N1CCCC1)n2C
InChIInChI=1S/C18H24N4O2/c1-21-13-6-5-7-14(24-2)15(13)19-18(21)20-17(23)16(12-8-9-12)22-10-3-4-11-22/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,19,20,23)/t16-/m0/s1
InChIKeyOWFAGCHRHFJVNN-INIZCTEOSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide (CID 164632663) is (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide is COc1cccc2c1nc(NC(=O)[C@H](C1CC1)N1CCCC1)n2C.
What is the InChIKey of (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is OWFAGCHRHFJVNN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-13-6-5-7-14(24-2)15(13)19-18(21)20-17(23)16(12-8-9-12)22-10-3-4-11-22/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,19,20,23)/t16-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide?
(2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 328.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-(4-methoxy-1-methylbenzimidazol-2-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 164632663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).