2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole

C18H18N4O — CID 163215616

IUPAC2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole
SMILESCC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccco1
InChIInChI=1S/C18H18N4O/c1-18(2,3)22-15(16-9-6-10-23-16)11-14(21-22)17-19-12-7-4-5-8-13(12)20-17/h4-11H,1-3H3,(H,19,20)
InChIKeyPTHINPOMRFDQJO-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.44
Rot. Bonds2

About 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole

2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole (PubChem CID 163215616) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole
PubChem CID163215616
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole
SMILESCC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccco1
InChIInChI=1S/C18H18N4O/c1-18(2,3)22-15(16-9-6-10-23-16)11-14(21-22)17-19-12-7-4-5-8-13(12)20-17/h4-11H,1-3H3,(H,19,20)
InChIKeyPTHINPOMRFDQJO-UHFFFAOYSA-N
XLogP4.44
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole (CID 163215616) is 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole is CC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccco1.
What is the InChIKey of 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole?
The InChIKey is PTHINPOMRFDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-18(2,3)22-15(16-9-6-10-23-16)11-14(21-22)17-19-12-7-4-5-8-13(12)20-17/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole?
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 306.37 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 163215616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).