[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone

C20H17N3O2 — CID 40921065

IUPAC[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3O2/c24-20(18-12-13-6-1-4-10-17(13)25-18)23-11-5-9-16(23)19-21-14-7-2-3-8-15(14)22-19/h1-4,6-8,10,12,16H,5,9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyHUHIRPOFQCQFJO-INIZCTEOSA-N
MW331.38 g/mol
LogP4.29
Rot. Bonds2

About [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone (PubChem CID 40921065) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
PubChem CID40921065
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3O2/c24-20(18-12-13-6-1-4-10-17(13)25-18)23-11-5-9-16(23)19-21-14-7-2-3-8-15(14)22-19/h1-4,6-8,10,12,16H,5,9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyHUHIRPOFQCQFJO-INIZCTEOSA-N
XLogP4.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone 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

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 97149553
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 2563679
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone
CID 94363736
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 51270082
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 119064094
1-benzofuran-2-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978326
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136851165

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
The IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone (CID 40921065) is [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
The canonical SMILES for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone is O=C(c1cc2ccccc2o1)N1CCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
The InChIKey is HUHIRPOFQCQFJO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(18-12-13-6-1-4-10-17(13)25-18)23-11-5-9-16(23)19-21-14-7-2-3-8-15(14)22-19/h1-4,6-8,10,12,16H,5,9,11H2,(H,21,22)/t16-/m0/s1.
What are the key properties of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone?
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone has a molecular weight of 331.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 40921065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).