2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole

C10H17N3O — CID 129191762

IUPAC2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCOC[C@@H]1CN[C@H](c2ncc(C)[nH]2)C1
InChIInChI=1S/C10H17N3O/c1-7-4-12-10(13-7)9-3-8(5-11-9)6-14-2/h4,8-9,11H,3,5-6H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyMQKJOLXLYMNREO-IUCAKERBSA-N
MW195.27 g/mol
LogP1.02
Rot. Bonds3

About 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole

2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole (PubChem CID 129191762) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole
PubChem CID129191762
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCOC[C@@H]1CN[C@H](c2ncc(C)[nH]2)C1
InChIInChI=1S/C10H17N3O/c1-7-4-12-10(13-7)9-3-8(5-11-9)6-14-2/h4,8-9,11H,3,5-6H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyMQKJOLXLYMNREO-IUCAKERBSA-N
XLogP1.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-Imidazol-4-yl)propyl 2-methylpropyl ether
CID 10821309
4-[3-(4,4-Dimethyl-pentyloxy)-propyl]-1H-imidazole;C2H2O4
CID 10977121
3-(1H-Imidazol-4-yl)propyl 3-methylbutyl ether
CID 10465285
1-(3-Methoxypropyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820588
5-[1-[3-(1H-imidazol-5-yl)pentoxy]pentan-3-yl]-1H-imidazole
CID 69023346
3-(1H-Imidazol-4-yl)propyl 4-methylpentyl ether
CID 10750963
2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 170722463
2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 61213948
3-methoxy-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
CID 62475627
tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate
CID 102970433
oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine
CID 102970438
ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate
CID 20518041

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole (CID 129191762) is 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole is COC[C@@H]1CN[C@H](c2ncc(C)[nH]2)C1.
What is the InChIKey of 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole?
The InChIKey is MQKJOLXLYMNREO-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-4-12-10(13-7)9-3-8(5-11-9)6-14-2/h4,8-9,11H,3,5-6H2,1-2H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole?
2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole has a molecular weight of 195.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 129191762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).