1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine

C16H17FN4 — CID 83111334

IUPAC1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)cn2)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C16H17FN4/c1-16(14-8-7-13(17)9-19-14)11-20-15(18)21(16)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,18,20)
InChIKeyCCDZVVDJWJUYCW-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.27
Rot. Bonds3

About 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine

1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 83111334) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
PubChem CID83111334
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)cn2)CN=C(N)N1Cc1ccccc1
InChIInChI=1S/C16H17FN4/c1-16(14-8-7-13(17)9-19-14)11-20-15(18)21(16)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,18,20)
InChIKeyCCDZVVDJWJUYCW-UHFFFAOYSA-N
XLogP2.27
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
CID 83129047
1-benzyl-5-[2-(difluoromethoxy)phenyl]-5-methyl-4H-imidazol-2-amine
CID 113248396
1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79507017
1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine
CID 79505944
5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine
CID 79498835
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506525
1-(4-fluorophenyl)-5-methyl-5-phenyl-4H-imidazol-2-amine
CID 79505515
1-benzyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505951
5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine
CID 79510395
5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 115941748
1-benzyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79957610
1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine
CID 79510740

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine (CID 83111334) is 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine is CC1(c2ccc(F)cn2)CN=C(N)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is CCDZVVDJWJUYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-16(14-8-7-13(17)9-19-14)11-20-15(18)21(16)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,18,20).
What are the key properties of 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine?
1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 284.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 83111334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).