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

C20H23N5O — CID 142578026

IUPAC5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
SMILESCc1cc(-c2[nH]c(N)nc2-c2ccc3c(c2)N(C(C)C)CCO3)ccn1
InChIInChI=1S/C20H23N5O/c1-12(2)25-8-9-26-17-5-4-14(11-16(17)25)18-19(24-20(21)23-18)15-6-7-22-13(3)10-15/h4-7,10-12H,8-9H2,1-3H3,(H3,21,23,24)
InChIKeyNFRGEOKTTYWQRI-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.64
Rot. Bonds3

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

5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine (PubChem CID 142578026) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
PubChem CID142578026
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
SMILESCc1cc(-c2[nH]c(N)nc2-c2ccc3c(c2)N(C(C)C)CCO3)ccn1
InChIInChI=1S/C20H23N5O/c1-12(2)25-8-9-26-17-5-4-14(11-16(17)25)18-19(24-20(21)23-18)15-6-7-22-13(3)10-15/h4-7,10-12H,8-9H2,1-3H3,(H3,21,23,24)
InChIKeyNFRGEOKTTYWQRI-UHFFFAOYSA-N
XLogP3.64
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-yl]methanamine
CID 142578057
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate
CID 142578070
4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 142578077
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
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine
CID 142578013
4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
CID 82340154
2-(2-methyl-4-pyridinyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 106753298
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
7-butan-2-yl-1-propan-2-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
CID 129157098
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine?
The IUPAC name of 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine (CID 142578026) is 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine is Cc1cc(-c2[nH]c(N)nc2-c2ccc3c(c2)N(C(C)C)CCO3)ccn1.
What is the InChIKey of 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine?
The InChIKey is NFRGEOKTTYWQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12(2)25-8-9-26-17-5-4-14(11-16(17)25)18-19(24-20(21)23-18)15-6-7-22-13(3)10-15/h4-7,10-12H,8-9H2,1-3H3,(H3,21,23,24).
What are the key properties of 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine?
5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine has a molecular weight of 349.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 142578026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).