3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C18H17N3O2 — CID 110743352

IUPAC3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1cc(C)c2c(c1)OCCN2C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H17N3O2/c1-11-7-12(2)17-16(8-11)23-6-5-21(17)18(22)13-3-4-14-15(9-13)20-10-19-14/h3-4,7-10H,5-6H2,1-2H3,(H,19,20)
InChIKeyVWVROHAJVNEIEV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.22
Rot. Bonds1

About 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 110743352) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID110743352
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1cc(C)c2c(c1)OCCN2C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H17N3O2/c1-11-7-12(2)17-16(8-11)23-6-5-21(17)18(22)13-3-4-14-15(9-13)20-10-19-14/h3-4,7-10H,5-6H2,1-2H3,(H,19,20)
InChIKeyVWVROHAJVNEIEV-UHFFFAOYSA-N
XLogP3.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
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1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
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3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
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bis(3H-benzimidazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 110743352) is 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is Cc1cc(C)c2c(c1)OCCN2C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is VWVROHAJVNEIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-7-12(2)17-16(8-11)23-6-5-21(17)18(22)13-3-4-14-15(9-13)20-10-19-14/h3-4,7-10H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 307.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(5,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 110743352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).