4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine

C15H18N4 — CID 116877105

IUPAC4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine
SMILESCC(N)CCc1ncc(-c2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C15H18N4/c1-10(16)6-7-15-18-9-14(19-15)12-8-17-13-5-3-2-4-11(12)13/h2-5,8-10,17H,6-7,16H2,1H3,(H,18,19)
InChIKeyLUFBKIKWZLRYOB-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.84
Rot. Bonds4

About 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine

4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine (PubChem CID 116877105) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine
PubChem CID116877105
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine
SMILESCC(N)CCc1ncc(-c2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C15H18N4/c1-10(16)6-7-15-18-9-14(19-15)12-8-17-13-5-3-2-4-11(12)13/h2-5,8-10,17H,6-7,16H2,1H3,(H,18,19)
InChIKeyLUFBKIKWZLRYOB-UHFFFAOYSA-N
XLogP2.84
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butanoic acid
CID 116878808
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116878761
2-[5-(4-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]ethanamine
CID 82387877
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one
CID 158100790
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
CID 43651211
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine?
The IUPAC name of 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine (CID 116877105) is 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine?
The canonical SMILES for 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine is CC(N)CCc1ncc(-c2c[nH]c3ccccc23)[nH]1.
What is the InChIKey of 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine?
The InChIKey is LUFBKIKWZLRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10(16)6-7-15-18-9-14(19-15)12-8-17-13-5-3-2-4-11(12)13/h2-5,8-10,17H,6-7,16H2,1H3,(H,18,19).
What are the key properties of 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine?
4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 116877105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).