4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide

C18H19ClN4O — CID 765689

IUPAC4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide
SMILESCN(C)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C18H19ClN4O/c1-22(2)11-12-23-16-6-4-3-5-15(16)20-18(23)21-17(24)13-7-9-14(19)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyRTXRYXVOIBDWFR-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.50
Rot. Bonds5

About 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide

4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide (PubChem CID 765689) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide
PubChem CID765689
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide
SMILESCN(C)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C18H19ClN4O/c1-22(2)11-12-23-16-6-4-3-5-15(16)20-18(23)21-17(24)13-7-9-14(19)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,21,24)
InChIKeyRTXRYXVOIBDWFR-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide (CID 765689) is 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide is CN(C)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide?
The InChIKey is RTXRYXVOIBDWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-22(2)11-12-23-16-6-4-3-5-15(16)20-18(23)21-17(24)13-7-9-14(19)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,21,24).
What are the key properties of 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide?
4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 765689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).