N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide

C19H19ClN4O2 — CID 3159382

IUPACN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C19H19ClN4O2/c1-12(25)21-10-9-18-23-16-11-15(7-8-17(16)24(18)2)22-19(26)13-3-5-14(20)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGOLPDOVMESOCDI-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide

N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide (PubChem CID 3159382) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide
PubChem CID3159382
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C19H19ClN4O2/c1-12(25)21-10-9-18-23-16-11-15(7-8-17(16)24(18)2)22-19(26)13-3-5-14(20)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGOLPDOVMESOCDI-UHFFFAOYSA-N
XLogP3.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide?
The IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide (CID 3159382) is N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide is CC(=O)NCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C.
What is the InChIKey of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide?
The InChIKey is GOLPDOVMESOCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12(25)21-10-9-18-23-16-11-15(7-8-17(16)24(18)2)22-19(26)13-3-5-14(20)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide?
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide has a molecular weight of 370.84 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide is sourced from PubChem (CID 3159382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).