4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid

C19H18Cl2N2O2 — CID 15129928

IUPAC4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid
SMILESCCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-2-3-4-18-22-16-9-14(20)15(21)10-17(16)23(18)11-12-5-7-13(8-6-12)19(24)25/h5-10H,2-4,11H2,1H3,(H,24,25)
InChIKeySBQAMVNLSSTRJG-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.43
Rot. Bonds6

About 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid

4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 15129928) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid
PubChem CID15129928
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid
SMILESCCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-2-3-4-18-22-16-9-14(20)15(21)10-17(16)23(18)11-12-5-7-13(8-6-12)19(24)25/h5-10H,2-4,11H2,1H3,(H,24,25)
InChIKeySBQAMVNLSSTRJG-UHFFFAOYSA-N
XLogP5.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid (CID 15129928) is 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid is CCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is SBQAMVNLSSTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-2-3-4-18-22-16-9-14(20)15(21)10-17(16)23(18)11-12-5-7-13(8-6-12)19(24)25/h5-10H,2-4,11H2,1H3,(H,24,25).
What are the key properties of 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid?
4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 377.27 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butyl-5,6-dichlorobenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 15129928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).