2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine

C16H22N4 — CID 62225769

IUPAC2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C)nc(-c2ccc3c(c2)CCN3C)c1N
InChIInChI=1S/C16H22N4/c1-4-8-20-11(2)18-15(16(20)17)13-5-6-14-12(10-13)7-9-19(14)3/h5-6,10H,4,7-9,17H2,1-3H3
InChIKeyQNKWWQSETKFQOZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine

2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine (PubChem CID 62225769) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine
PubChem CID62225769
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C)nc(-c2ccc3c(c2)CCN3C)c1N
InChIInChI=1S/C16H22N4/c1-4-8-20-11(2)18-15(16(20)17)13-5-6-14-12(10-13)7-9-19(14)3/h5-6,10H,4,7-9,17H2,1-3H3
InChIKeyQNKWWQSETKFQOZ-UHFFFAOYSA-N
XLogP2.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine?
The IUPAC name of 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine (CID 62225769) is 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine.
What is the SMILES notation for 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine?
The canonical SMILES for 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine is CCCn1c(C)nc(-c2ccc3c(c2)CCN3C)c1N.
What is the InChIKey of 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine?
The InChIKey is QNKWWQSETKFQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-8-20-11(2)18-15(16(20)17)13-5-6-14-12(10-13)7-9-19(14)3/h5-6,10H,4,7-9,17H2,1-3H3.
What are the key properties of 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine?
2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)-3-propylimidazol-4-amine is sourced from PubChem (CID 62225769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).