1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

C14H23N5 — CID 79496609

IUPAC1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCn1cncc1C1CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C14H23N5/c1-18-10-16-8-12(18)13-9-17-14(15)19(13)11-6-4-2-3-5-7-11/h8,10-11,13H,2-7,9H2,1H3,(H2,15,17)
InChIKeyFAUXAFUJDUVEBJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds2

About 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine

1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79496609) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79496609
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCn1cncc1C1CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C14H23N5/c1-18-10-16-8-12(18)13-9-17-14(15)19(13)11-6-4-2-3-5-7-11/h8,10-11,13H,2-7,9H2,1H3,(H2,15,17)
InChIKeyFAUXAFUJDUVEBJ-UHFFFAOYSA-N
XLogP1.81
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine (CID 79496609) is 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is Cn1cncc1C1CN=C(N)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FAUXAFUJDUVEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-10-16-8-12(18)13-9-17-14(15)19(13)11-6-4-2-3-5-7-11/h8,10-11,13H,2-7,9H2,1H3,(H2,15,17).
What are the key properties of 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine?
1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79496609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).