2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

C18H19ClN4O2 — CID 2973556

IUPAC2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)n2C
InChIInChI=1S/C18H19ClN4O2/c1-21(2)14-10-16-15(22(3)18(25)23(16)4)9-13(14)20-17(24)11-7-5-6-8-12(11)19/h5-10H,1-4H3,(H,20,24)
InChIKeyRMZVLECFMXWMHR-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (PubChem CID 2973556) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
PubChem CID2973556
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)n2C
InChIInChI=1S/C18H19ClN4O2/c1-21(2)14-10-16-15(22(3)18(25)23(16)4)9-13(14)20-17(24)11-7-5-6-8-12(11)19/h5-10H,1-4H3,(H,20,24)
InChIKeyRMZVLECFMXWMHR-UHFFFAOYSA-N
XLogP2.85
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (CID 2973556) is 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is CN(C)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)n2C.
What is the InChIKey of 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The InChIKey is RMZVLECFMXWMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-21(2)14-10-16-15(22(3)18(25)23(16)4)9-13(14)20-17(24)11-7-5-6-8-12(11)19/h5-10H,1-4H3,(H,20,24).
What are the key properties of 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide has a molecular weight of 358.83 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is sourced from PubChem (CID 2973556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).