5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C14H10BrClFN3O — CID 114841957

IUPAC5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(NCc3cc(Cl)ccc3F)cc2[nH]1
InChIInChI=1S/C14H10BrClFN3O/c15-9-4-12-13(20-14(21)19-12)5-11(9)18-6-7-3-8(16)1-2-10(7)17/h1-5,18H,6H2,(H2,19,20,21)
InChIKeyGSPBICSRWKHUCP-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.02
Rot. Bonds3

About 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 114841957) has the molecular formula C14H10BrClFN3O and a molecular weight of 370.61 g/mol. Its IUPAC name is 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID114841957
Molecular FormulaC14H10BrClFN3O
Molecular Weight370.61 g/mol
Exact Mass368.97
IUPAC Name5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(NCc3cc(Cl)ccc3F)cc2[nH]1
InChIInChI=1S/C14H10BrClFN3O/c15-9-4-12-13(20-14(21)19-12)5-11(9)18-6-7-3-8(16)1-2-10(7)17/h1-5,18H,6H2,(H2,19,20,21)
InChIKeyGSPBICSRWKHUCP-UHFFFAOYSA-N
XLogP4.02
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230508
5-bromo-6-[(2,4-dihydroxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43741346
5-bromo-6-[(3,4-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43790101
5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66474217
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114841513
2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
CID 104722778
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102853232
5-bromo-6-(piperidin-4-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
CID 79708425
2-[(2-bromo-4-chloroanilino)methyl]-4-fluorophenol
CID 107694491
methyl 4-chloro-2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841641
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 114841957) is 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(NCc3cc(Cl)ccc3F)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GSPBICSRWKHUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3O/c15-9-4-12-13(20-14(21)19-12)5-11(9)18-6-7-3-8(16)1-2-10(7)17/h1-5,18H,6H2,(H2,19,20,21).
What are the key properties of 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 370.61 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 114841957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).