2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole

C19H20N4O — CID 163215614

IUPAC2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(-c4ccco4)n(C(C)(C)C)n3)[nH]c2c1
InChIInChI=1S/C19H20N4O/c1-12-7-8-13-14(10-12)21-18(20-13)15-11-16(17-6-5-9-24-17)23(22-15)19(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyTUXKIUZJNGBDMH-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.75
Rot. Bonds2

About 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole

2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole (PubChem CID 163215614) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
PubChem CID163215614
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(-c4ccco4)n(C(C)(C)C)n3)[nH]c2c1
InChIInChI=1S/C19H20N4O/c1-12-7-8-13-14(10-12)21-18(20-13)15-11-16(17-6-5-9-24-17)23(22-15)19(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyTUXKIUZJNGBDMH-UHFFFAOYSA-N
XLogP4.75
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.75
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]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole (CID 163215614) is 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3cc(-c4ccco4)n(C(C)(C)C)n3)[nH]c2c1.
What is the InChIKey of 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The InChIKey is TUXKIUZJNGBDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-7-8-13-14(10-12)21-18(20-13)15-11-16(17-6-5-9-24-17)23(22-15)19(2,3)4/h5-11H,1-4H3,(H,20,21).
What are the key properties of 2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole?
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole has a molecular weight of 320.40 g/mol, XLogP of 4.75, 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]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 163215614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).