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

C19H21N5 — CID 163215610

IUPAC2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(-c4ccc[nH]4)n(C(C)(C)C)n3)[nH]c2c1
InChIInChI=1S/C19H21N5/c1-12-7-8-13-15(10-12)22-18(21-13)16-11-17(14-6-5-9-20-14)24(23-16)19(2,3)4/h5-11,20H,1-4H3,(H,21,22)
InChIKeyXPSFYTWDILDAQF-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.48
Rot. Bonds2

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

2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole (PubChem CID 163215610) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
PubChem CID163215610
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cc(-c4ccc[nH]4)n(C(C)(C)C)n3)[nH]c2c1
InChIInChI=1S/C19H21N5/c1-12-7-8-13-15(10-12)22-18(21-13)16-11-17(14-6-5-9-20-14)24(23-16)19(2,3)4/h5-11,20H,1-4H3,(H,21,22)
InChIKeyXPSFYTWDILDAQF-UHFFFAOYSA-N
XLogP4.48
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vactosertib
CID 54766013
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Ag-24322
CID 135413565
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
2-pyridin-2-yl-1H-benzimidazole-6-carboximidamide
CID 10037159
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
2-(pyridin-2-ylmethyl)-1H-benzimidazole-6-carboximidamide
CID 22628841
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole (CID 163215610) is 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3cc(-c4ccc[nH]4)n(C(C)(C)C)n3)[nH]c2c1.
What is the InChIKey of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole?
The InChIKey is XPSFYTWDILDAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-7-8-13-15(10-12)22-18(21-13)16-11-17(14-6-5-9-20-14)24(23-16)19(2,3)4/h5-11,20H,1-4H3,(H,21,22).
What are the key properties of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole?
2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole has a molecular weight of 319.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 163215610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).