2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride

C15H14Cl3N5 — CID 18616882

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cccc2[nH]c(Cc3nc4ccc(Cl)cc4[nH]3)nc12
InChIInChI=1S/C15H12ClN5.2ClH/c16-8-4-5-10-12(6-8)20-13(18-10)7-14-19-11-3-1-2-9(17)15(11)21-14;;/h1-6H,7,17H2,(H,18,20)(H,19,21);2*1H
InChIKeyZVURPSWMLXEYIK-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.11
Rot. Bonds2

About 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride

2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride (PubChem CID 18616882) has the molecular formula C15H14Cl3N5 and a molecular weight of 370.67 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride
PubChem CID18616882
Molecular FormulaC15H14Cl3N5
Molecular Weight370.67 g/mol
Exact Mass369.03
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cccc2[nH]c(Cc3nc4ccc(Cl)cc4[nH]3)nc12
InChIInChI=1S/C15H12ClN5.2ClH/c16-8-4-5-10-12(6-8)20-13(18-10)7-14-19-11-3-1-2-9(17)15(11)21-14;;/h1-6H,7,17H2,(H,18,20)(H,19,21);2*1H
InChIKeyZVURPSWMLXEYIK-UHFFFAOYSA-N
XLogP4.11
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.11
H-Bond Donors ≤ 53
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 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride (CID 18616882) is 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride is Cl.Cl.Nc1cccc2[nH]c(Cc3nc4ccc(Cl)cc4[nH]3)nc12.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride?
The InChIKey is ZVURPSWMLXEYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5.2ClH/c16-8-4-5-10-12(6-8)20-13(18-10)7-14-19-11-3-1-2-9(17)15(11)21-14;;/h1-6H,7,17H2,(H,18,20)(H,19,21);2*1H.
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride?
2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride has a molecular weight of 370.67 g/mol, XLogP of 4.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride is sourced from PubChem (CID 18616882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).