(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C17H23N3O4 — CID 128990361

IUPAC(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOc1nc2ccc(C(=O)N3C[C@@H](OC)C[C@H]3COC)cc2[nH]1
InChIInChI=1S/C17H23N3O4/c1-4-24-17-18-14-6-5-11(7-15(14)19-17)16(21)20-9-13(23-3)8-12(20)10-22-2/h5-7,12-13H,4,8-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyGNZBIDFGWDIALN-STQMWFEESA-N
MW333.39 g/mol
LogP1.84
Rot. Bonds6

About (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone

(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 128990361) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID128990361
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOc1nc2ccc(C(=O)N3C[C@@H](OC)C[C@H]3COC)cc2[nH]1
InChIInChI=1S/C17H23N3O4/c1-4-24-17-18-14-6-5-11(7-15(14)19-17)16(21)20-9-13(23-3)8-12(20)10-22-2/h5-7,12-13H,4,8-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKeyGNZBIDFGWDIALN-STQMWFEESA-N
XLogP1.84
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 12005140
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CID 44432958
Methyl N-[6-[4-(methyl-3-oxetanylamino)benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 129188946
PI3K/mTOR Inhibitor-6
CID 153532120
Carbamic acid, (5-(1-piperidinylcarbonyl)-1H-benzimidazol-2-yl)-, methyl ester
CID 174075
n-(Pentan-3-yl)-1h-benzo[d]imidazole-5-carboxamide
CID 2100119
N-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 2569844
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methyl-1H-benzimidazole-5-carboxamide
CID 3244293
1-cyclopentyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3655573
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 16193494
N-(2-methoxyethyl)-1-(3-methylphenyl)-1H-benzimidazole-5-carboxamide
CID 4185448
(2S)-1-[2-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-3H-benzimidazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 153532119

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 128990361) is (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone is CCOc1nc2ccc(C(=O)N3C[C@@H](OC)C[C@H]3COC)cc2[nH]1.
What is the InChIKey of (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GNZBIDFGWDIALN-STQMWFEESA-N. The full InChI is InChI=1S/C17H23N3O4/c1-4-24-17-18-14-6-5-11(7-15(14)19-17)16(21)20-9-13(23-3)8-12(20)10-22-2/h5-7,12-13H,4,8-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128990361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).