N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine

C17H23N5 — CID 19970906

IUPACN-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine
SMILESCN(C)CCc1c[nH]c2ccc(CNc3nccn3C)cc12
InChIInChI=1S/C17H23N5/c1-21(2)8-6-14-12-19-16-5-4-13(10-15(14)16)11-20-17-18-7-9-22(17)3/h4-5,7,9-10,12,19H,6,8,11H2,1-3H3,(H,18,20)
InChIKeyPBLPNBLAUGXXQI-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.62
Rot. Bonds6

About N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine

N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine (PubChem CID 19970906) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine
PubChem CID19970906
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine
SMILESCN(C)CCc1c[nH]c2ccc(CNc3nccn3C)cc12
InChIInChI=1S/C17H23N5/c1-21(2)8-6-14-12-19-16-5-4-13(10-15(14)16)11-20-17-18-7-9-22(17)3/h4-5,7,9-10,12,19H,6,8,11H2,1-3H3,(H,18,20)
InChIKeyPBLPNBLAUGXXQI-UHFFFAOYSA-N
XLogP2.62
TPSA48.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123729544
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3,4-dihydropyrrol-2-one
CID 141267623
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate
CID 19970909
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;oxalic acid;hydrate
CID 67698369
N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine
CID 19022934
bis(N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine);oxalic acid;hydrate
CID 67698373

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine?
The IUPAC name of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine (CID 19970906) is N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine is CN(C)CCc1c[nH]c2ccc(CNc3nccn3C)cc12.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine?
The InChIKey is PBLPNBLAUGXXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-21(2)8-6-14-12-19-16-5-4-13(10-15(14)16)11-20-17-18-7-9-22(17)3/h4-5,7,9-10,12,19H,6,8,11H2,1-3H3,(H,18,20).
What are the key properties of N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine?
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 19970906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).