4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine

C16H15N5O — CID 142578133

IUPAC4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)NCCO3)c(-c2ccncc2)[nH]1
InChIInChI=1S/C16H15N5O/c17-16-20-14(10-3-5-18-6-4-10)15(21-16)11-1-2-13-12(9-11)19-7-8-22-13/h1-6,9,19H,7-8H2,(H3,17,20,21)
InChIKeyKJNTWGFFOGRGOX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds2

About 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine

4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine (PubChem CID 142578133) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine
PubChem CID142578133
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)NCCO3)c(-c2ccncc2)[nH]1
InChIInChI=1S/C16H15N5O/c17-16-20-14(10-3-5-18-6-4-10)15(21-16)11-1-2-13-12(9-11)19-7-8-22-13/h1-6,9,19H,7-8H2,(H3,17,20,21)
InChIKeyKJNTWGFFOGRGOX-UHFFFAOYSA-N
XLogP2.53
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine
CID 142578057
4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578036
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine
CID 142578013
6-[2-methyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 151495759
5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
CID 142578026
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059333
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123650289
6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817431
6-(4-nitrophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817464
6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817450
6-[2-(2-methoxyethyl)-5-methyl-1,3-thiazol-4-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82059368
3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 11480537

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine (CID 142578133) is 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine is Nc1nc(-c2ccc3c(c2)NCCO3)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine?
The InChIKey is KJNTWGFFOGRGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-16-20-14(10-3-5-18-6-4-10)15(21-16)11-1-2-13-12(9-11)19-7-8-22-13/h1-6,9,19H,7-8H2,(H3,17,20,21).
What are the key properties of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine?
4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine is sourced from PubChem (CID 142578133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).