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

C19H19ClN4O2 — CID 4886625

IUPACN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1C
InChIInChI=1S/C19H19ClN4O2/c1-12(25)21-10-9-18-23-16-11-13(7-8-17(16)24(18)2)22-19(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyULCCNGIXNUVFPJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.16
Rot. Bonds5

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

N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide (PubChem CID 4886625) 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]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
PubChem CID4886625
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
SMILESCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1C
InChIInChI=1S/C19H19ClN4O2/c1-12(25)21-10-9-18-23-16-11-13(7-8-17(16)24(18)2)22-19(26)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyULCCNGIXNUVFPJ-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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Related Compounds

N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4890462
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
N-[2-(5-acetamido-1-methylbenzimidazol-2-yl)ethyl]cyclopentanecarboxamide
CID 46270354
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751969
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 46270417

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide?
The IUPAC name of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide (CID 4886625) is N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide is CC(=O)NCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1C.
What is the InChIKey of N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide?
The InChIKey is ULCCNGIXNUVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12(25)21-10-9-18-23-16-11-13(7-8-17(16)24(18)2)22-19(26)14-5-3-4-6-15(14)20/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]-2-chlorobenzamide?
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-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]-2-chlorobenzamide is sourced from PubChem (CID 4886625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).