N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide

C18H18FN3O2 — CID 110791278

IUPACN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(CCNC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H18FN3O2/c1-21-15-8-3-12(11-16(15)22(2)18(21)24)9-10-20-17(23)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyYWKKRCAFDWVXGJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide

N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide (PubChem CID 110791278) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
PubChem CID110791278
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(CCNC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H18FN3O2/c1-21-15-8-3-12(11-16(15)22(2)18(21)24)9-10-20-17(23)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyYWKKRCAFDWVXGJ-UHFFFAOYSA-N
XLogP1.99
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110791294
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea
CID 110776177
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046101
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide (CID 110791278) is N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide is Cn1c(=O)n(C)c2cc(CCNC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide?
The InChIKey is YWKKRCAFDWVXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-21-15-8-3-12(11-16(15)22(2)18(21)24)9-10-20-17(23)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide?
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide has a molecular weight of 327.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 110791278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).