N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine

C17H22N4 — CID 102914690

IUPACN-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc2ccn(Cc3nccn3C)c12
InChIInChI=1S/C17H22N4/c1-13(2)19-11-15-6-4-5-14-7-9-21(17(14)15)12-16-18-8-10-20(16)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyPWHKPTCFBGCYMH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.92
Rot. Bonds5

About N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine

N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine (PubChem CID 102914690) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine
PubChem CID102914690
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc2ccn(Cc3nccn3C)c12
InChIInChI=1S/C17H22N4/c1-13(2)19-11-15-6-4-5-14-7-9-21(17(14)15)12-16-18-8-10-20(16)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyPWHKPTCFBGCYMH-UHFFFAOYSA-N
XLogP2.92
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
CID 102914619
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430
2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
CID 102914573
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
methyl 4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanoate
CID 102914556
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 107696232
2-fluoro-3-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 107119125
4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102915190
N-[[6-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907434

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine (CID 102914690) is N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine is CC(C)NCc1cccc2ccn(Cc3nccn3C)c12.
What is the InChIKey of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine?
The InChIKey is PWHKPTCFBGCYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13(2)19-11-15-6-4-5-14-7-9-21(17(14)15)12-16-18-8-10-20(16)3/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine?
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine is sourced from PubChem (CID 102914690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).