1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine

C14H11ClFN3 — CID 55080364

IUPAC1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClFN3/c1-8-18-12-7-10(17)3-5-14(12)19(8)13-4-2-9(15)6-11(13)16/h2-7H,17H2,1H3
InChIKeyJXBUMHNZAKMWPK-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.71
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine

1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine (PubChem CID 55080364) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
PubChem CID55080364
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1F
InChIInChI=1S/C14H11ClFN3/c1-8-18-12-7-10(17)3-5-14(12)19(8)13-4-2-9(15)6-11(13)16/h2-7H,17H2,1H3
InChIKeyJXBUMHNZAKMWPK-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine (CID 55080364) is 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine?
The InChIKey is JXBUMHNZAKMWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-8-18-12-7-10(17)3-5-14(12)19(8)13-4-2-9(15)6-11(13)16/h2-7H,17H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine?
1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine has a molecular weight of 275.71 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 55080364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).