1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine

C14H11ClFN3 — CID 66079066

IUPAC1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1ccccc1
InChIInChI=1S/C14H11ClFN3/c15-10-6-12-13(7-11(10)16)19(14(17)18-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,18)
InChIKeyJPNWPNVQCLVOJN-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.46
Rot. Bonds2

About 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine

1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine (PubChem CID 66079066) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
PubChem CID66079066
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1ccccc1
InChIInChI=1S/C14H11ClFN3/c15-10-6-12-13(7-11(10)16)19(14(17)18-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,18)
InChIKeyJPNWPNVQCLVOJN-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine
CID 66076737
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106035619
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
CID 66076958
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
CID 66077162

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine (CID 66079066) is 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine?
The InChIKey is JPNWPNVQCLVOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-10-6-12-13(7-11(10)16)19(14(17)18-12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,17,18).
What are the key properties of 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine?
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine has a molecular weight of 275.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66079066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).