4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine

C17H18N4 — CID 114717854

IUPAC4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)c1cccc(-n2cncc2-c2ccnc(N)c2)c1
InChIInChI=1S/C17H18N4/c1-12(2)13-4-3-5-15(8-13)21-11-19-10-16(21)14-6-7-20-17(18)9-14/h3-12H,1-2H3,(H2,18,20)
InChIKeyBKCAHWGNNXCFNC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.64
Rot. Bonds3

About 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine

4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114717854) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114717854
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)c1cccc(-n2cncc2-c2ccnc(N)c2)c1
InChIInChI=1S/C17H18N4/c1-12(2)13-4-3-5-15(8-13)21-11-19-10-16(21)14-6-7-20-17(18)9-14/h3-12H,1-2H3,(H2,18,20)
InChIKeyBKCAHWGNNXCFNC-UHFFFAOYSA-N
XLogP3.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717172
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
CID 114717129
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114720752
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
4-[3-(2-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716273
4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114717768
4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717900
3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine
CID 107444011
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114718576
4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114722647

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine (CID 114717854) is 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine is CC(C)c1cccc(-n2cncc2-c2ccnc(N)c2)c1.
What is the InChIKey of 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is BKCAHWGNNXCFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12(2)13-4-3-5-15(8-13)21-11-19-10-16(21)14-6-7-20-17(18)9-14/h3-12H,1-2H3,(H2,18,20).
What are the key properties of 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114717854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).