1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine

C16H21N3 — CID 106582506

IUPAC1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(CCCC2CC2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-13-12-19(11-5-6-14-9-10-14)16(17-13)18-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyIAXLTPCGTQUNAZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.13
Rot. Bonds6

About 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine

1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106582506) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID106582506
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(CCCC2CC2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-13-12-19(11-5-6-14-9-10-14)16(17-13)18-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyIAXLTPCGTQUNAZ-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine (CID 106582506) is 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine is Cc1cn(CCCC2CC2)c(Nc2ccccc2)n1.
What is the InChIKey of 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is IAXLTPCGTQUNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-12-19(11-5-6-14-9-10-14)16(17-13)18-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine?
1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 255.37 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106582506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).