1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

C17H25N5O — CID 125008602

IUPAC1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCc1cnc([C@@H]2CCCN2C(=O)CCn2ccnc2C(C)C)[nH]1
InChIInChI=1S/C17H25N5O/c1-12(2)17-18-7-10-21(17)9-6-15(23)22-8-4-5-14(22)16-19-11-13(3)20-16/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyUWFGEPDJSZYWTA-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.79
Rot. Bonds5

About 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 125008602) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID125008602
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCc1cnc([C@@H]2CCCN2C(=O)CCn2ccnc2C(C)C)[nH]1
InChIInChI=1S/C17H25N5O/c1-12(2)17-18-7-10-21(17)9-6-15(23)22-8-4-5-14(22)16-19-11-13(3)20-16/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyUWFGEPDJSZYWTA-AWEZNQCLSA-N
XLogP2.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
3-(benzimidazol-1-yl)-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124981892
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 124569451
1-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 125021644
3-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]-1,4-diazepan-2-one
CID 154754201
1-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 127246797
3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104424
1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125004918
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110104413
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453
5,5-dimethyl-3-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953316

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 125008602) is 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is Cc1cnc([C@@H]2CCCN2C(=O)CCn2ccnc2C(C)C)[nH]1.
What is the InChIKey of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is UWFGEPDJSZYWTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(2)17-18-7-10-21(17)9-6-15(23)22-8-4-5-14(22)16-19-11-13(3)20-16/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 315.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 125008602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).