1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine

C13H14N4 — CID 116835166

IUPAC1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine
SMILESCn1cc(C(N)c2ncc[nH]2)c2ccccc21
InChIInChI=1S/C13H14N4/c1-17-8-10(9-4-2-3-5-11(9)17)12(14)13-15-6-7-16-13/h2-8,12H,14H2,1H3,(H,15,16)
InChIKeyYQCPWHFFUJTQDC-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.95
Rot. Bonds2

About 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine

1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine (PubChem CID 116835166) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine.

Molecular Properties

Compound Name1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine
PubChem CID116835166
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine
SMILESCn1cc(C(N)c2ncc[nH]2)c2ccccc21
InChIInChI=1S/C13H14N4/c1-17-8-10(9-4-2-3-5-11(9)17)12(14)13-15-6-7-16-13/h2-8,12H,14H2,1H3,(H,15,16)
InChIKeyYQCPWHFFUJTQDC-UHFFFAOYSA-N
XLogP1.95
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-2-yl-(3-methyltriazol-4-yl)methanamine
CID 114688680
1-methyl-3-propan-2-ylindole
CID 10942942
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole
CID 175519385
(1-methylindol-3-yl)-naphthalen-2-ylmethanamine
CID 101394090
(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine?
The IUPAC name of 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine (CID 116835166) is 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine.
What is the SMILES notation for 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine?
The canonical SMILES for 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine is Cn1cc(C(N)c2ncc[nH]2)c2ccccc21.
What is the InChIKey of 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine?
The InChIKey is YQCPWHFFUJTQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-17-8-10(9-4-2-3-5-11(9)17)12(14)13-15-6-7-16-13/h2-8,12H,14H2,1H3,(H,15,16).
What are the key properties of 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine?
1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine has a molecular weight of 226.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine is sourced from PubChem (CID 116835166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).