6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine

C14H10BrClFN3 — CID 116737993

IUPAC6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClFN3/c15-10-5-13-12(6-11(10)17)19-14(18)20(13)7-8-1-3-9(16)4-2-8/h1-6H,7H2,(H2,18,19)
InChIKeyBMHFSOITSNPCKM-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.22
Rot. Bonds2

About 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine

6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine (PubChem CID 116737993) has the molecular formula C14H10BrClFN3 and a molecular weight of 354.61 g/mol. Its IUPAC name is 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
PubChem CID116737993
Molecular FormulaC14H10BrClFN3
Molecular Weight354.61 g/mol
Exact Mass352.97
IUPAC Name6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClFN3/c15-10-5-13-12(6-11(10)17)19-14(18)20(13)7-8-1-3-9(16)4-2-8/h1-6H,7H2,(H2,18,19)
InChIKeyBMHFSOITSNPCKM-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 58564987
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 116738217
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81177907

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine (CID 116737993) is 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)c(Br)cc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine?
The InChIKey is BMHFSOITSNPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3/c15-10-5-13-12(6-11(10)17)19-14(18)20(13)7-8-1-3-9(16)4-2-8/h1-6H,7H2,(H2,18,19).
What are the key properties of 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine?
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine has a molecular weight of 354.61 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116737993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).