1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole

C14H19N3 — CID 141427495

IUPAC1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
SMILESCN1CNC(Cc2cn(C)c3ccccc23)C1
InChIInChI=1S/C14H19N3/c1-16-9-12(15-10-16)7-11-8-17(2)14-6-4-3-5-13(11)14/h3-6,8,12,15H,7,9-10H2,1-2H3
InChIKeyLZSGMKRFZYDZBN-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.58
Rot. Bonds2

About 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole

1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole (PubChem CID 141427495) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
PubChem CID141427495
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole
SMILESCN1CNC(Cc2cn(C)c3ccccc23)C1
InChIInChI=1S/C14H19N3/c1-16-9-12(15-10-16)7-11-8-17(2)14-6-4-3-5-13(11)14/h3-6,8,12,15H,7,9-10H2,1-2H3
InChIKeyLZSGMKRFZYDZBN-UHFFFAOYSA-N
XLogP1.58
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
3-[(1-methylindol-3-yl)methyl]piperidin-4-one
CID 83488034
1-methyl-3-[2-(1-methylpiperazin-2-yl)ethyl]indole
CID 116928367
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
3-(methoxymethyl)-1-methylindole
CID 18711466
3-(2-bromoethyl)-1-methylindole
CID 13153306
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
(6S)-6-[(1-methylindol-3-yl)methyl]-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 134153382
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole?
The IUPAC name of 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole (CID 141427495) is 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole.
What is the SMILES notation for 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole?
The canonical SMILES for 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole is CN1CNC(Cc2cn(C)c3ccccc23)C1.
What is the InChIKey of 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole?
The InChIKey is LZSGMKRFZYDZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-9-12(15-10-16)7-11-8-17(2)14-6-4-3-5-13(11)14/h3-6,8,12,15H,7,9-10H2,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole?
1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole has a molecular weight of 229.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylimidazolidin-4-yl)methyl]indole is sourced from PubChem (CID 141427495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).