[6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone

C20H22N4O3 — CID 166324270

IUPAC[6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](CCO)N(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1
InChIInChI=1S/C20H22N4O3/c1-27-16-10-15(8-9-25)23(12-16)20(26)14-6-7-19(21-11-14)24-13-22-17-4-2-3-5-18(17)24/h2-7,11,13,15-16,25H,8-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyGAEQWXCNTONIAZ-CVEARBPZSA-N
MW366.42 g/mol
LogP2.03
Rot. Bonds5

About [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone

[6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone (PubChem CID 166324270) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone
PubChem CID166324270
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](CCO)N(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1
InChIInChI=1S/C20H22N4O3/c1-27-16-10-15(8-9-25)23(12-16)20(26)14-6-7-19(21-11-14)24-13-22-17-4-2-3-5-18(17)24/h2-7,11,13,15-16,25H,8-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyGAEQWXCNTONIAZ-CVEARBPZSA-N
XLogP2.03
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,3R,4S)-3,4-dimethoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 166324348
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
4-[6-(benzimidazol-1-yl)pyridine-3-carbonyl]-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 155947482
[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 146086211
[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989463
6-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-4-methylpentyl]pyridine-3-carboxamide
CID 97332340
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 154788241
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328
(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128990361
1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359705
3-[3-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128984837

Frequently Asked Questions

What is the IUPAC name of [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone (CID 166324270) is [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone is CO[C@H]1C[C@@H](CCO)N(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1.
What is the InChIKey of [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone?
The InChIKey is GAEQWXCNTONIAZ-CVEARBPZSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-16-10-15(8-9-25)23(12-16)20(26)14-6-7-19(21-11-14)24-13-22-17-4-2-3-5-18(17)24/h2-7,11,13,15-16,25H,8-10,12H2,1H3/t15-,16+/m1/s1.
What are the key properties of [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone?
[6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzimidazol-1-yl)-3-pyridinyl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 166324270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).