2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide

C24H21N3O2 — CID 10199968

IUPAC2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc5c(c4)CCCC5)cc3)[nH]c2c1
InChIInChI=1S/C24H21N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h5-14H,1-4H2,(H2,25,28)(H,26,27)
InChIKeyQHGMKZOYNBURMZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.00
Rot. Bonds4

About 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10199968) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10199968
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc5c(c4)CCCC5)cc3)[nH]c2c1
InChIInChI=1S/C24H21N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h5-14H,1-4H2,(H2,25,28)(H,26,27)
InChIKeyQHGMKZOYNBURMZ-UHFFFAOYSA-N
XLogP5.00
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 10199968) is 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4ccc5c(c4)CCCC5)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QHGMKZOYNBURMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h5-14H,1-4H2,(H2,25,28)(H,26,27).
What are the key properties of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10199968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).