6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

C16H13Cl2N3 — CID 82005414

IUPAC6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESClc1cc2nc(-c3ccc4c(c3)CCCN4)[nH]c2cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-11-7-14-15(8-12(11)18)21-16(20-14)10-3-4-13-9(6-10)2-1-5-19-13/h3-4,6-8,19H,1-2,5H2,(H,20,21)
InChIKeyWKKCYSDDBGBXAM-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.89
Rot. Bonds1

About 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 82005414) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID82005414
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESClc1cc2nc(-c3ccc4c(c3)CCCN4)[nH]c2cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-11-7-14-15(8-12(11)18)21-16(20-14)10-3-4-13-9(6-10)2-1-5-19-13/h3-4,6-8,19H,1-2,5H2,(H,20,21)
InChIKeyWKKCYSDDBGBXAM-UHFFFAOYSA-N
XLogP4.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (CID 82005414) is 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is Clc1cc2nc(-c3ccc4c(c3)CCCN4)[nH]c2cc1Cl.
What is the InChIKey of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WKKCYSDDBGBXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-11-7-14-15(8-12(11)18)21-16(20-14)10-3-4-13-9(6-10)2-1-5-19-13/h3-4,6-8,19H,1-2,5H2,(H,20,21).
What are the key properties of 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 318.21 g/mol, XLogP of 4.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82005414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).