5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole

C16H18N4 — CID 19977124

IUPAC5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(-n4ccnc4)cc23)C1
InChIInChI=1S/C16H18N4/c1-19-6-4-12(10-19)15-9-18-16-3-2-13(8-14(15)16)20-7-5-17-11-20/h2-3,5,7-9,11-12,18H,4,6,10H2,1H3
InChIKeyNTUFXJLPBBTZGI-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.77
Rot. Bonds2

About 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole

5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole (PubChem CID 19977124) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole.

Molecular Properties

Compound Name5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole
PubChem CID19977124
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(-n4ccnc4)cc23)C1
InChIInChI=1S/C16H18N4/c1-19-6-4-12(10-19)15-9-18-16-3-2-13(8-14(15)16)20-7-5-17-11-20/h2-3,5,7-9,11-12,18H,4,6,10H2,1H3
InChIKeyNTUFXJLPBBTZGI-UHFFFAOYSA-N
XLogP2.77
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
1-propyl-2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]piperidin-4-amine
CID 67653680
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215873
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
CID 12043258
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
CID 67754574

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The IUPAC name of 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole (CID 19977124) is 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole.
What is the SMILES notation for 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The canonical SMILES for 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole is CN1CCC(c2c[nH]c3ccc(-n4ccnc4)cc23)C1.
What is the InChIKey of 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The InChIKey is NTUFXJLPBBTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19-6-4-12(10-19)15-9-18-16-3-2-13(8-14(15)16)20-7-5-17-11-20/h2-3,5,7-9,11-12,18H,4,6,10H2,1H3.
What are the key properties of 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole?
5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole has a molecular weight of 266.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-3-(1-methylpyrrolidin-3-yl)-1H-indole is sourced from PubChem (CID 19977124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).