2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine

C15H18N4 — CID 82381039

IUPAC2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine
SMILESCc1ccc2c(C)c(-c3cn(CCN)cn3)[nH]c2c1
InChIInChI=1S/C15H18N4/c1-10-3-4-12-11(2)15(18-13(12)7-10)14-8-19(6-5-16)9-17-14/h3-4,7-9,18H,5-6,16H2,1-2H3
InChIKeyBYSVKPPTMSWJEL-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.61
Rot. Bonds3

About 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine

2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 82381039) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine
PubChem CID82381039
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine
SMILESCc1ccc2c(C)c(-c3cn(CCN)cn3)[nH]c2c1
InChIInChI=1S/C15H18N4/c1-10-3-4-12-11(2)15(18-13(12)7-10)14-8-19(6-5-16)9-17-14/h3-4,7-9,18H,5-6,16H2,1-2H3
InChIKeyBYSVKPPTMSWJEL-UHFFFAOYSA-N
XLogP2.61
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-methylpyrrol-3-yl)imidazol-1-yl]ethanamine
CID 82281310
2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)imidazol-1-yl]ethanamine
CID 107498632
2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495752
2-(4-tert-butylimidazol-1-yl)ethanamine
CID 82512100
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
2-[4-(5-chloro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495792
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
2-[(6-methyl-1H-indazol-3-yl)oxy]ethanamine
CID 84663326
2-[4-(5-fluoro-1-methylbenzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495782
2-[4-(6-methyl-1H-indol-2-yl)imidazol-1-yl]acetaldehyde
CID 82388377
1-(2-aminoethyl)imidazol-4-amine
CID 96848259
2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine (CID 82381039) is 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine is Cc1ccc2c(C)c(-c3cn(CCN)cn3)[nH]c2c1.
What is the InChIKey of 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is BYSVKPPTMSWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-3-4-12-11(2)15(18-13(12)7-10)14-8-19(6-5-16)9-17-14/h3-4,7-9,18H,5-6,16H2,1-2H3.
What are the key properties of 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine?
2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethyl-1H-indol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 82381039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).