4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole

C17H20N4 — CID 124940343

IUPAC4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESCc1cnc([C@H]2CCN(Cc3cccc4[nH]ccc34)C2)[nH]1
InChIInChI=1S/C17H20N4/c1-12-9-19-17(20-12)14-6-8-21(11-14)10-13-3-2-4-16-15(13)5-7-18-16/h2-5,7,9,14,18H,6,8,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyAFNZXEDPAGBDKG-AWEZNQCLSA-N
MW280.38 g/mol
LogP3.19
Rot. Bonds3

About 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole

4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole (PubChem CID 124940343) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
PubChem CID124940343
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESCc1cnc([C@H]2CCN(Cc3cccc4[nH]ccc34)C2)[nH]1
InChIInChI=1S/C17H20N4/c1-12-9-19-17(20-12)14-6-8-21(11-14)10-13-3-2-4-16-15(13)5-7-18-16/h2-5,7,9,14,18H,6,8,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyAFNZXEDPAGBDKG-AWEZNQCLSA-N
XLogP3.19
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole with MolForge

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Related Compounds

2-methyl-5-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 125015783
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 155986420
4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
CID 97153671
1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124978097
2-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 125006103
3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113025
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
CID 125019244
(3R,4R)-1-(1H-indol-4-ylmethyl)-4-(3-methoxyphenyl)piperidin-3-ol
CID 164629277
(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516631

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The IUPAC name of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole (CID 124940343) is 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole is Cc1cnc([C@H]2CCN(Cc3cccc4[nH]ccc34)C2)[nH]1.
What is the InChIKey of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The InChIKey is AFNZXEDPAGBDKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-9-19-17(20-12)14-6-8-21(11-14)10-13-3-2-4-16-15(13)5-7-18-16/h2-5,7,9,14,18H,6,8,10-11H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole has a molecular weight of 280.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 124940343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).