2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole

C14H21N5O — CID 154798232

IUPAC2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole
SMILESCO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cnc[nH]2)C1
InChIInChI=1S/C14H21N5O/c1-9-10(2)18-14(17-9)13-4-12(20-3)7-19(13)6-11-5-15-8-16-11/h5,8,12-13H,4,6-7H2,1-3H3,(H,15,16)(H,17,18)/t12-,13+/m1/s1
InChIKeyQFATYMHNEAYVKE-OLZOCXBDSA-N
MW275.36 g/mol
LogP1.71
Rot. Bonds4

About 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole

2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole (PubChem CID 154798232) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole
PubChem CID154798232
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole
SMILESCO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cnc[nH]2)C1
InChIInChI=1S/C14H21N5O/c1-9-10(2)18-14(17-9)13-4-12(20-3)7-19(13)6-11-5-15-8-16-11/h5,8,12-13H,4,6-7H2,1-3H3,(H,15,16)(H,17,18)/t12-,13+/m1/s1
InChIKeyQFATYMHNEAYVKE-OLZOCXBDSA-N
XLogP1.71
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
CID 167921637
2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
CID 154765204
3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 154765192
2-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 128982813
2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010299
2-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010300
5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole
CID 130918020
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
(3S)-4-(1H-imidazol-5-ylmethyl)-3-[(1S,2R)-2-methoxycyclopentyl]morpholine
CID 129351443
5-[(2S,4R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methoxypyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128979797
5-(1H-imidazol-5-ylmethyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209779
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole?
The IUPAC name of 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole (CID 154798232) is 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole is CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cnc[nH]2)C1.
What is the InChIKey of 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole?
The InChIKey is QFATYMHNEAYVKE-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-10(2)18-14(17-9)13-4-12(20-3)7-19(13)6-11-5-15-8-16-11/h5,8,12-13H,4,6-7H2,1-3H3,(H,15,16)(H,17,18)/t12-,13+/m1/s1.
What are the key properties of 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole?
2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole has a molecular weight of 275.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 154798232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).