5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one

C15H13ClFN3O — CID 43766489

IUPAC5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFN3O/c1-8(11-4-2-9(17)6-12(11)16)18-10-3-5-13-14(7-10)20-15(21)19-13/h2-8,18H,1H3,(H2,19,20,21)
InChIKeyCQFYWXYEYMWXJZ-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.82
Rot. Bonds3

About 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one

5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43766489) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID43766489
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClFN3O/c1-8(11-4-2-9(17)6-12(11)16)18-10-3-5-13-14(7-10)20-15(21)19-13/h2-8,18H,1H3,(H2,19,20,21)
InChIKeyCQFYWXYEYMWXJZ-UHFFFAOYSA-N
XLogP3.82
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
4-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-nitroaniline
CID 43785747
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318208
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-ethynylaniline
CID 43755518
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43785537
5-[1-(2,4-dichlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741578

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one (CID 43766489) is 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one is CC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1Cl.
What is the InChIKey of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CQFYWXYEYMWXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-8(11-4-2-9(17)6-12(11)16)18-10-3-5-13-14(7-10)20-15(21)19-13/h2-8,18H,1H3,(H2,19,20,21).
What are the key properties of 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 305.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43766489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).