4-chloro-2-(1-phenylpropyl)-1H-benzimidazole

C16H15ClN2 — CID 64724538

IUPAC4-chloro-2-(1-phenylpropyl)-1H-benzimidazole
SMILESCCC(c1ccccc1)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C16H15ClN2/c1-2-12(11-7-4-3-5-8-11)16-18-14-10-6-9-13(17)15(14)19-16/h3-10,12H,2H2,1H3,(H,18,19)
InChIKeyIOMZNPVDIWEYCK-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.76
Rot. Bonds3

About 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole

4-chloro-2-(1-phenylpropyl)-1H-benzimidazole (PubChem CID 64724538) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-phenylpropyl)-1H-benzimidazole
PubChem CID64724538
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name4-chloro-2-(1-phenylpropyl)-1H-benzimidazole
SMILESCCC(c1ccccc1)c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C16H15ClN2/c1-2-12(11-7-4-3-5-8-11)16-18-14-10-6-9-13(17)15(14)19-16/h3-10,12H,2H2,1H3,(H,18,19)
InChIKeyIOMZNPVDIWEYCK-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole (CID 64724538) is 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole is CCC(c1ccccc1)c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole?
The InChIKey is IOMZNPVDIWEYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-12(11-7-4-3-5-8-11)16-18-14-10-6-9-13(17)15(14)19-16/h3-10,12H,2H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole?
4-chloro-2-(1-phenylpropyl)-1H-benzimidazole has a molecular weight of 270.76 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-phenylpropyl)-1H-benzimidazole is sourced from PubChem (CID 64724538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).