1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine

C16H25N3S — CID 106575161

IUPAC1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NC(C)Cc1ccc(C)s1
InChIInChI=1S/C16H25N3S/c1-5-6-9-19-11-13(3)18-16(19)17-12(2)10-15-8-7-14(4)20-15/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyRQZWSFTUMWAKQD-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.40
Rot. Bonds7

About 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine

1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine (PubChem CID 106575161) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
PubChem CID106575161
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NC(C)Cc1ccc(C)s1
InChIInChI=1S/C16H25N3S/c1-5-6-9-19-11-13(3)18-16(19)17-12(2)10-15-8-7-14(4)20-15/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyRQZWSFTUMWAKQD-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine (CID 106575161) is 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine is CCCCn1cc(C)nc1NC(C)Cc1ccc(C)s1.
What is the InChIKey of 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The InChIKey is RQZWSFTUMWAKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-6-9-19-11-13(3)18-16(19)17-12(2)10-15-8-7-14(4)20-15/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine has a molecular weight of 291.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine is sourced from PubChem (CID 106575161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).