benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate

C19H19N3O3 — CID 141361242

IUPACbenzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O3/c23-14-10-17(18-20-15-8-4-5-9-16(15)21-18)22(11-14)19(24)25-12-13-6-2-1-3-7-13/h1-9,14,17,23H,10-12H2,(H,20,21)/t14-,17+/m1/s1
InChIKeyOIPFSVPJOMHMSK-PBHICJAKSA-N
MW337.38 g/mol
LogP3.01
Rot. Bonds3

About benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate

benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 141361242) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID141361242
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namebenzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O3/c23-14-10-17(18-20-15-8-4-5-9-16(15)21-18)22(11-14)19(24)25-12-13-6-2-1-3-7-13/h1-9,14,17,23H,10-12H2,(H,20,21)/t14-,17+/m1/s1
InChIKeyOIPFSVPJOMHMSK-PBHICJAKSA-N
XLogP3.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[6-[2-[2-[(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxycarbonylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 44817148
benzyl (2S,4S)-2-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 54234603
benzyl 2-carboniodidoyl-4-hydroxypyrrolidine-1-carboxylate
CID 129035263
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512
benzyl (2S,4R)-4-hydroxy-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 167189286
benzyl 2-(6-propyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
CID 91032110
benzyl (2R,4R)-2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 165133490
benzyl (2R)-2-[6-(9H-carbazol-3-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 25262655
(2S,4R)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-2-[6-[2-[2-[(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxycarbonylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67529704
benzyl (2R)-2-[6-(4-nitrophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 25262357
benzyl 2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 68553080

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate (CID 141361242) is benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is OIPFSVPJOMHMSK-PBHICJAKSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-14-10-17(18-20-15-8-4-5-9-16(15)21-18)22(11-14)19(24)25-12-13-6-2-1-3-7-13/h1-9,14,17,23H,10-12H2,(H,20,21)/t14-,17+/m1/s1.
What are the key properties of benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate?
benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,4R)-2-(1H-benzimidazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 141361242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).