5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one

C17H19ClN4O — CID 56655969

IUPAC5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3nccnc3Cl)cc21
InChIInChI=1S/C17H19ClN4O/c1-17(2,3)10-22-12-6-5-11(9-13(12)21(4)16(22)23)14-15(18)20-8-7-19-14/h5-9H,10H2,1-4H3
InChIKeyOGCMVDWNQNABNX-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.50
Rot. Bonds2

About 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one

5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one (PubChem CID 56655969) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
PubChem CID56655969
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3nccnc3Cl)cc21
InChIInChI=1S/C17H19ClN4O/c1-17(2,3)10-22-12-6-5-11(9-13(12)21(4)16(22)23)14-15(18)20-8-7-19-14/h5-9H,10H2,1-4H3
InChIKeyOGCMVDWNQNABNX-UHFFFAOYSA-N
XLogP3.50
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The IUPAC name of 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one (CID 56655969) is 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one.
What is the SMILES notation for 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The canonical SMILES for 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3nccnc3Cl)cc21.
What is the InChIKey of 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
The InChIKey is OGCMVDWNQNABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-17(2,3)10-22-12-6-5-11(9-13(12)21(4)16(22)23)14-15(18)20-8-7-19-14/h5-9H,10H2,1-4H3.
What are the key properties of 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one?
5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one has a molecular weight of 330.82 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropyrazin-2-yl)-1-(2,2-dimethylpropyl)-3-methylbenzimidazol-2-one is sourced from PubChem (CID 56655969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).