N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide

C19H18N6OS — CID 91888168

IUPACN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H18N6OS/c26-19(12-3-4-14-15(8-12)21-11-20-14)22-13-5-6-25(10-13)18-9-16(23-24-18)17-2-1-7-27-17/h1-4,7-9,11,13H,5-6,10H2,(H,20,21)(H,22,26)(H,23,24)
InChIKeyWRYZDFJNUUCDMA-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide

N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 91888168) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
PubChem CID91888168
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC NameN-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C19H18N6OS/c26-19(12-3-4-14-15(8-12)21-11-20-14)22-13-5-6-25(10-13)18-9-16(23-24-18)17-2-1-7-27-17/h1-4,7-9,11,13H,5-6,10H2,(H,20,21)(H,22,26)(H,23,24)
InChIKeyWRYZDFJNUUCDMA-UHFFFAOYSA-N
XLogP3.02
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide (CID 91888168) is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is WRYZDFJNUUCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c26-19(12-3-4-14-15(8-12)21-11-20-14)22-13-5-6-25(10-13)18-9-16(23-24-18)17-2-1-7-27-17/h1-4,7-9,11,13H,5-6,10H2,(H,20,21)(H,22,26)(H,23,24).
What are the key properties of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91888168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).