N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine

C16H20N4 — CID 114532036

IUPACN-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2CCc2nccn2C)c1
InChIInChI=1S/C16H20N4/c1-17-12-13-3-4-15-14(11-13)5-8-20(15)9-6-16-18-7-10-19(16)2/h3-5,7-8,10-11,17H,6,9,12H2,1-2H3
InChIKeyZDRWOCMPXXQWEY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine

N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine (PubChem CID 114532036) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
PubChem CID114532036
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2CCc2nccn2C)c1
InChIInChI=1S/C16H20N4/c1-17-12-13-3-4-15-14(11-13)5-8-20(15)9-6-16-18-7-10-19(16)2/h3-5,7-8,10-11,17H,6,9,12H2,1-2H3
InChIKeyZDRWOCMPXXQWEY-UHFFFAOYSA-N
XLogP2.34
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
1-[1-(2-tert-butylsulfonylethyl)indol-5-yl]-N-methylmethanamine
CID 106717836
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
N-methyl-1-[1-(2-pyridin-2-ylethyl)indol-6-yl]methanamine
CID 102916586
2,2-dimethyl-5-[5-(methylaminomethyl)indol-1-yl]pentanenitrile
CID 102915726
1-(1-hept-6-enylindol-5-yl)-N-methylmethanamine
CID 107010388
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine
CID 114528961
N-methyl-2-(1-propylindol-5-yl)ethanamine
CID 115106808
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
1-[1-[(3,4-difluorophenyl)methyl]indol-5-yl]-N-methylmethanamine
CID 82926335

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine (CID 114532036) is N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine is CNCc1ccc2c(ccn2CCc2nccn2C)c1.
What is the InChIKey of N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine?
The InChIKey is ZDRWOCMPXXQWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-17-12-13-3-4-15-14(11-13)5-8-20(15)9-6-16-18-7-10-19(16)2/h3-5,7-8,10-11,17H,6,9,12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine?
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine is sourced from PubChem (CID 114532036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).