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

C18H19N5 — CID 163215611

IUPAC2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole
SMILESCC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccc[nH]1
InChIInChI=1S/C18H19N5/c1-18(2,3)23-16(14-9-6-10-19-14)11-15(22-23)17-20-12-7-4-5-8-13(12)21-17/h4-11,19H,1-3H3,(H,20,21)
InChIKeyHLURRAUAEMZZGW-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.18
Rot. Bonds2

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

2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole (PubChem CID 163215611) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole
PubChem CID163215611
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole
SMILESCC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccc[nH]1
InChIInChI=1S/C18H19N5/c1-18(2,3)23-16(14-9-6-10-19-14)11-15(22-23)17-20-12-7-4-5-8-13(12)21-17/h4-11,19H,1-3H3,(H,20,21)
InChIKeyHLURRAUAEMZZGW-UHFFFAOYSA-N
XLogP4.18
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-5-chloro-1,3-benzoxazole
CID 163363525
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
4-(1H-benzimidazol-2-yl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 123159437
2-[4-(1H-benzimidazol-2-yl)imidazol-1-yl]ethanamine
CID 107495752
5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 670851
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-[3-(1H-pyrrol-2-yl)thieno[3,2-b]thiophen-5-yl]-1H-benzimidazole
CID 134295980
2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 68602182
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-tert-butyl-1,2,4-benzotriazin-3-one
CID 11447027

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole (CID 163215611) is 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole is CC(C)(C)n1nc(-c2nc3ccccc3[nH]2)cc1-c1ccc[nH]1.
What is the InChIKey of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole?
The InChIKey is HLURRAUAEMZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-18(2,3)23-16(14-9-6-10-19-14)11-15(22-23)17-20-12-7-4-5-8-13(12)21-17/h4-11,19H,1-3H3,(H,20,21).
What are the key properties of 2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole?
2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 305.38 g/mol, XLogP of 4.18, 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]-1H-benzimidazole is sourced from PubChem (CID 163215611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).