[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone

C22H23N5O2 — CID 24776358

IUPAC[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone
SMILESCCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2nc3ccc(OC)cc3[nH]2)C1
InChIInChI=1S/C22H23N5O2/c1-3-20-23-17-6-4-5-7-19(17)27(20)14-10-11-26(13-14)22(28)21-24-16-9-8-15(29-2)12-18(16)25-21/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyVTSVIVIZRMTHNK-CQSZACIVSA-N
MW389.46 g/mol
LogP3.57
Rot. Bonds4

About [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone

[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone (PubChem CID 24776358) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone
PubChem CID24776358
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone
SMILESCCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2nc3ccc(OC)cc3[nH]2)C1
InChIInChI=1S/C22H23N5O2/c1-3-20-23-17-6-4-5-7-19(17)27(20)14-10-11-26(13-14)22(28)21-24-16-9-8-15(29-2)12-18(16)25-21/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyVTSVIVIZRMTHNK-CQSZACIVSA-N
XLogP3.57
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-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

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone?
The IUPAC name of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone (CID 24776358) is [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone is CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2nc3ccc(OC)cc3[nH]2)C1.
What is the InChIKey of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone?
The InChIKey is VTSVIVIZRMTHNK-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-20-23-17-6-4-5-7-19(17)27(20)14-10-11-26(13-14)22(28)21-24-16-9-8-15(29-2)12-18(16)25-21/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone?
[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 24776358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).