[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine

C18H19N5O — CID 142578057

IUPAC[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine
SMILESCc1cc(-c2[nH]c(CN)nc2-c2ccc3c(c2)NCCO3)ccn1
InChIInChI=1S/C18H19N5O/c1-11-8-13(4-5-20-11)18-17(22-16(10-19)23-18)12-2-3-15-14(9-12)21-6-7-24-15/h2-5,8-9,21H,6-7,10,19H2,1H3,(H,22,23)
InChIKeyDAFCIPBQAAFKDR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.71
Rot. Bonds3

About [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine

[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine (PubChem CID 142578057) 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)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine
PubChem CID142578057
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine
SMILESCc1cc(-c2[nH]c(CN)nc2-c2ccc3c(c2)NCCO3)ccn1
InChIInChI=1S/C18H19N5O/c1-11-8-13(4-5-20-11)18-17(22-16(10-19)23-18)12-2-3-15-14(9-12)21-6-7-24-15/h2-5,8-9,21H,6-7,10,19H2,1H3,(H,22,23)
InChIKeyDAFCIPBQAAFKDR-UHFFFAOYSA-N
XLogP2.71
TPSA88.85 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 ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-methyl-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578036
4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine
CID 142578133
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate
CID 142578070
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-(2-methoxyethyl)-5-methyl-1,3-thiazol-4-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82059368
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
2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106753298
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
4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578077
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059333

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine (CID 142578057) is [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine is Cc1cc(-c2[nH]c(CN)nc2-c2ccc3c(c2)NCCO3)ccn1.
What is the InChIKey of [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine?
The InChIKey is DAFCIPBQAAFKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-8-13(4-5-20-11)18-17(22-16(10-19)23-18)12-2-3-15-14(9-12)21-6-7-24-15/h2-5,8-9,21H,6-7,10,19H2,1H3,(H,22,23).
What are the key properties of [4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine?
[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine has a molecular weight of 321.38 g/mol, XLogP of 2.71, 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)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 142578057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).