N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine

C23H25FN4 — CID 70875051

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(F)cc(C2N=C3C=CC=CN3C2NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H25FN4/c1-16-12-18(14-19(24)13-16)22-23(28-11-5-4-6-21(28)26-22)25-15-17-7-9-20(10-8-17)27(2)3/h4-14,22-23,25H,15H2,1-3H3
InChIKeyKCOFBLAGWHHITD-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.15
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine

N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine (PubChem CID 70875051) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
PubChem CID70875051
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(F)cc(C2N=C3C=CC=CN3C2NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H25FN4/c1-16-12-18(14-19(24)13-16)22-23(28-11-5-4-6-21(28)26-22)25-15-17-7-9-20(10-8-17)27(2)3/h4-14,22-23,25H,15H2,1-3H3
InChIKeyKCOFBLAGWHHITD-UHFFFAOYSA-N
XLogP4.15
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine (CID 70875051) is N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine is Cc1cc(F)cc(C2N=C3C=CC=CN3C2NCc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The InChIKey is KCOFBLAGWHHITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4/c1-16-12-18(14-19(24)13-16)22-23(28-11-5-4-6-21(28)26-22)25-15-17-7-9-20(10-8-17)27(2)3/h4-14,22-23,25H,15H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine has a molecular weight of 376.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(3-fluoro-5-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 70875051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).