6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole

C17H15ClN4O — CID 70726724

IUPAC6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole
SMILESClc1ccc2nc(CCCn3ccnc3-c3ccoc3)[nH]c2c1
InChIInChI=1S/C17H15ClN4O/c18-13-3-4-14-15(10-13)21-16(20-14)2-1-7-22-8-6-19-17(22)12-5-9-23-11-12/h3-6,8-11H,1-2,7H2,(H,20,21)
InChIKeyUDLYQVVVYUKVQD-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.31
Rot. Bonds5

About 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole

6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole (PubChem CID 70726724) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole
PubChem CID70726724
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole
SMILESClc1ccc2nc(CCCn3ccnc3-c3ccoc3)[nH]c2c1
InChIInChI=1S/C17H15ClN4O/c18-13-3-4-14-15(10-13)21-16(20-14)2-1-7-22-8-6-19-17(22)12-5-9-23-11-12/h3-6,8-11H,1-2,7H2,(H,20,21)
InChIKeyUDLYQVVVYUKVQD-UHFFFAOYSA-N
XLogP4.31
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole (CID 70726724) is 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole is Clc1ccc2nc(CCCn3ccnc3-c3ccoc3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole?
The InChIKey is UDLYQVVVYUKVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-13-3-4-14-15(10-13)21-16(20-14)2-1-7-22-8-6-19-17(22)12-5-9-23-11-12/h3-6,8-11H,1-2,7H2,(H,20,21).
What are the key properties of 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole?
6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole has a molecular weight of 326.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-[2-(furan-3-yl)imidazol-1-yl]propyl]-1H-benzimidazole is sourced from PubChem (CID 70726724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).