5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine

C14H10Cl2FN3 — CID 66078721

IUPAC5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2FN3/c15-9-3-1-2-8(4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
InChIKeyLNJBGDSFAWBTSR-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.11
Rot. Bonds2

About 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine

5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine (PubChem CID 66078721) has the molecular formula C14H10Cl2FN3 and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
PubChem CID66078721
Molecular FormulaC14H10Cl2FN3
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2FN3/c15-9-3-1-2-8(4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
InChIKeyLNJBGDSFAWBTSR-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine (CID 66078721) is 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The InChIKey is LNJBGDSFAWBTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3/c15-9-3-1-2-8(4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19).
What are the key properties of 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine?
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine has a molecular weight of 310.16 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66078721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).