N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine

C17H18N4 — CID 103932307

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NC(C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C17H18N4/c1-13-9-16(11-19-10-13)20-14(2)15-3-5-17(6-4-15)21-8-7-18-12-21/h3-12,14,20H,1-2H3
InChIKeyFDAWNVIPKNSDMA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine

N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine (PubChem CID 103932307) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
PubChem CID103932307
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NC(C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C17H18N4/c1-13-9-16(11-19-10-13)20-14(2)15-3-5-17(6-4-15)21-8-7-18-12-21/h3-12,14,20H,1-2H3
InChIKeyFDAWNVIPKNSDMA-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
CID 43539832
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
CID 97337942
5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine
CID 97116929
N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932325
[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
CID 103932386
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 75497970
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine (CID 103932307) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine is Cc1cncc(NC(C)c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine?
The InChIKey is FDAWNVIPKNSDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-9-16(11-19-10-13)20-14(2)15-3-5-17(6-4-15)21-8-7-18-12-21/h3-12,14,20H,1-2H3.
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 103932307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).