[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C19H17N5OS — CID 71783769

IUPAC[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc2nc(C3CN(C(=O)c4cc(-c5cccs5)[nH]n4)C3)[nH]c2c1
InChIInChI=1S/C19H17N5OS/c1-11-4-5-13-14(7-11)21-18(20-13)12-9-24(10-12)19(25)16-8-15(22-23-16)17-3-2-6-26-17/h2-8,12H,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyREMCMWGORBHURS-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.56
Rot. Bonds3

About [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 71783769) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID71783769
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1ccc2nc(C3CN(C(=O)c4cc(-c5cccs5)[nH]n4)C3)[nH]c2c1
InChIInChI=1S/C19H17N5OS/c1-11-4-5-13-14(7-11)21-18(20-13)12-9-24(10-12)19(25)16-8-15(22-23-16)17-3-2-6-26-17/h2-8,12H,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyREMCMWGORBHURS-UHFFFAOYSA-N
XLogP3.56
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 71783769) is [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is Cc1ccc2nc(C3CN(C(=O)c4cc(-c5cccs5)[nH]n4)C3)[nH]c2c1.
What is the InChIKey of [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is REMCMWGORBHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-4-5-13-14(7-11)21-18(20-13)12-9-24(10-12)19(25)16-8-15(22-23-16)17-3-2-6-26-17/h2-8,12H,9-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 363.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 71783769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).