[5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine

C14H11Cl2N3 — CID 11616288

IUPAC[5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ccc2[nH]cnc12
InChIInChI=1S/C14H11Cl2N3/c15-8-1-2-10(12(16)5-8)9-3-4-13-14(11(9)6-17)19-7-18-13/h1-5,7H,6,17H2,(H,18,19)
InChIKeyGQNQDWHIAYJPSG-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.00
Rot. Bonds2

About [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine

[5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 11616288) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID11616288
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name[5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ccc2[nH]cnc12
InChIInChI=1S/C14H11Cl2N3/c15-8-1-2-10(12(16)5-8)9-3-4-13-14(11(9)6-17)19-7-18-13/h1-5,7H,6,17H2,(H,18,19)
InChIKeyGQNQDWHIAYJPSG-UHFFFAOYSA-N
XLogP4.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine (CID 11616288) is [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)ccc2[nH]cnc12.
What is the InChIKey of [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is GQNQDWHIAYJPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-8-1-2-10(12(16)5-8)9-3-4-13-14(11(9)6-17)19-7-18-13/h1-5,7H,6,17H2,(H,18,19).
What are the key properties of [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine?
[5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 292.17 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 11616288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).