1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

C20H18N4O — CID 5305987

IUPAC1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3nc2C)c2ccccc21
InChIInChI=1S/C20H18N4O/c1-13(2)24-19-11-7-6-10-18(19)23(20(24)25)12-17-14(3)21-15-8-4-5-9-16(15)22-17/h4-11H,1,12H2,2-3H3
InChIKeyIHUIEZVYKSQYOX-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.59
Rot. Bonds3

About 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one

1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (PubChem CID 5305987) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
PubChem CID5305987
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one
SMILESC=C(C)n1c(=O)n(Cc2nc3ccccc3nc2C)c2ccccc21
InChIInChI=1S/C20H18N4O/c1-13(2)24-19-11-7-6-10-18(19)23(20(24)25)12-17-14(3)21-15-8-4-5-9-16(15)22-17/h4-11H,1,12H2,2-3H3
InChIKeyIHUIEZVYKSQYOX-UHFFFAOYSA-N
XLogP3.59
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one (CID 5305987) is 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is C=C(C)n1c(=O)n(Cc2nc3ccccc3nc2C)c2ccccc21.
What is the InChIKey of 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
The InChIKey is IHUIEZVYKSQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13(2)24-19-11-7-6-10-18(19)23(20(24)25)12-17-14(3)21-15-8-4-5-9-16(15)22-17/h4-11H,1,12H2,2-3H3.
What are the key properties of 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one?
1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylquinoxalin-2-yl)methyl]-3-prop-1-en-2-ylbenzimidazol-2-one is sourced from PubChem (CID 5305987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).