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

C18H19N5O — CID 142578036

IUPAC4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)NCCO3)c(-c2ccnc(C)c2)[nH]1
InChIInChI=1S/C18H19N5O/c1-11-9-13(5-6-20-11)17-16(22-18(19-2)23-17)12-3-4-15-14(10-12)21-7-8-24-15/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,22,23)
InChIKeyPYFDYRGTTNPKSF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds3

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

4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine (PubChem CID 142578036) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
PubChem CID142578036
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)NCCO3)c(-c2ccnc(C)c2)[nH]1
InChIInChI=1S/C18H19N5O/c1-11-9-13(5-6-20-11)17-16(22-18(19-2)23-17)12-3-4-15-14(10-12)21-7-8-24-15/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,22,23)
InChIKeyPYFDYRGTTNPKSF-UHFFFAOYSA-N
XLogP3.29
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine with MolForge

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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)-5-pyridin-4-yl-1H-imidazol-2-amine
CID 142578133
6-[2-methyl-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 151495759
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate
CID 142578070
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-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817431
6-[5-[(2-methyl-4H-azepin-7-yl)methyl]-2H-triazol-4-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 142830801
6-[2-(2-methoxyethyl)-5-methyl-1,3-thiazol-4-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82059368
2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106753298
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059333
1-[6-[2-[(4-methylphenyl)sulfanyl-[(4-methylphenyl)sulfanylmethyl]amino]-5-(2-methyl-4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 142578171
6-(4-nitrophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817464

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine (CID 142578036) is 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine is CNc1nc(-c2ccc3c(c2)NCCO3)c(-c2ccnc(C)c2)[nH]1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
The InChIKey is PYFDYRGTTNPKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-9-13(5-6-20-11)17-16(22-18(19-2)23-17)12-3-4-15-14(10-12)21-7-8-24-15/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.29, 3 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)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine is sourced from PubChem (CID 142578036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).