2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide

C18H18ClN3O2 — CID 2974652

IUPAC2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C18H18ClN3O2/c1-3-21-15-10-9-12(11-16(15)22(4-2)18(21)24)20-17(23)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,23)
InChIKeyVARFAHJSFDAJAF-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide

2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide (PubChem CID 2974652) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide
PubChem CID2974652
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C18H18ClN3O2/c1-3-21-15-10-9-12(11-16(15)22(4-2)18(21)24)20-17(23)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,23)
InChIKeyVARFAHJSFDAJAF-UHFFFAOYSA-N
XLogP3.75
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide (CID 2974652) is 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide is CCn1c(=O)n(CC)c2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide?
The InChIKey is VARFAHJSFDAJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-3-21-15-10-9-12(11-16(15)22(4-2)18(21)24)20-17(23)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide?
2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide has a molecular weight of 343.81 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 2974652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).