[(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone

C24H25FN6O4 — CID 118127025

IUPAC[(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone
SMILESCOc1cc2nc([C@@H]3[C@@H](C)CCN3C(=O)c3c(-n4nccn4)ccc(OC)c3F)[nH]c2cc1OC
InChIInChI=1S/C24H25FN6O4/c1-13-7-10-30(22(13)23-28-14-11-18(34-3)19(35-4)12-15(14)29-23)24(32)20-16(31-26-8-9-27-31)5-6-17(33-2)21(20)25/h5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,28,29)/t13-,22-/m0/s1
InChIKeyGRTCPKUAJWENQU-XMHCIUCPSA-N
MW480.50 g/mol
LogP3.53
Rot. Bonds6

About [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone

[(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone (PubChem CID 118127025) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone
PubChem CID118127025
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC Name[(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone
SMILESCOc1cc2nc([C@@H]3[C@@H](C)CCN3C(=O)c3c(-n4nccn4)ccc(OC)c3F)[nH]c2cc1OC
InChIInChI=1S/C24H25FN6O4/c1-13-7-10-30(22(13)23-28-14-11-18(34-3)19(35-4)12-15(14)29-23)24(32)20-16(31-26-8-9-27-31)5-6-17(33-2)21(20)25/h5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,28,29)/t13-,22-/m0/s1
InChIKeyGRTCPKUAJWENQU-XMHCIUCPSA-N
XLogP3.53
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]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

[(2S)-2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 118127697
[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]-[(2S)-2-methyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 118128036
[2-(4-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118128251
[(2S)-2-(6-methoxy-1H-benzimidazol-2-yl)-4-methylidenepyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 118127838
[2-fluoro-6-(triazol-2-yl)phenyl]-[(1R,2S,5R)-2-(6-methoxy-1H-benzimidazol-2-yl)-7-methylidene-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 170441892
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924
[(2S,3S)-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 118127084
[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylidenepyrrolidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118127429
[2-(6-methoxy-1H-benzimidazol-2-yl)-4-methylidenepyrrolidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118128275
[(2S,3S)-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[5-(4-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118127569
[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[2-(triazol-2-yl)-5-(trifluoromethoxy)phenyl]methanone
CID 118127229
[(1S,5R)-1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-[2-fluoro-3-methyl-6-(triazol-2-yl)phenyl]methanone
CID 146291354

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone (CID 118127025) is [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone is COc1cc2nc([C@@H]3[C@@H](C)CCN3C(=O)c3c(-n4nccn4)ccc(OC)c3F)[nH]c2cc1OC.
What is the InChIKey of [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone?
The InChIKey is GRTCPKUAJWENQU-XMHCIUCPSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-13-7-10-30(22(13)23-28-14-11-18(34-3)19(35-4)12-15(14)29-23)24(32)20-16(31-26-8-9-27-31)5-6-17(33-2)21(20)25/h5-6,8-9,11-13,22H,7,10H2,1-4H3,(H,28,29)/t13-,22-/m0/s1.
What are the key properties of [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone?
[(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone has a molecular weight of 480.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-3-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118127025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).