N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide

C24H20ClFN4O2 — CID 50751454

IUPACN-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
SMILESCn1c(CCNC(=O)c2ccccc2F)nc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C24H20ClFN4O2/c1-30-21-11-10-15(28-24(32)16-6-2-4-8-18(16)25)14-20(21)29-22(30)12-13-27-23(31)17-7-3-5-9-19(17)26/h2-11,14H,12-13H2,1H3,(H,27,31)(H,28,32)
InChIKeyORHBZKPGHOCGMX-UHFFFAOYSA-N
MW450.90 g/mol
LogP4.59
Rot. Bonds6

About N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide

N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide (PubChem CID 50751454) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
PubChem CID50751454
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC NameN-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
SMILESCn1c(CCNC(=O)c2ccccc2F)nc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C24H20ClFN4O2/c1-30-21-11-10-15(28-24(32)16-6-2-4-8-18(16)25)14-20(21)29-22(30)12-13-27-23(31)17-7-3-5-9-19(17)26/h2-11,14H,12-13H2,1H3,(H,27,31)(H,28,32)
InChIKeyORHBZKPGHOCGMX-UHFFFAOYSA-N
XLogP4.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
CID 46270397
N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 46270417
3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328945
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
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
CID 46270387
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[2-[5-[[2-(2-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751969

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide (CID 50751454) is N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide is Cn1c(CCNC(=O)c2ccccc2F)nc2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
The InChIKey is ORHBZKPGHOCGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c1-30-21-11-10-15(28-24(32)16-6-2-4-8-18(16)25)14-20(21)29-22(30)12-13-27-23(31)17-7-3-5-9-19(17)26/h2-11,14H,12-13H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide?
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide has a molecular weight of 450.90 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 50751454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).