N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide

C19H17N5O — CID 122136797

IUPACN-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide
SMILESN#Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1N1CCCC1
InChIInChI=1S/C19H17N5O/c20-12-14-11-13(7-8-17(14)24-9-3-4-10-24)18(25)23-19-21-15-5-1-2-6-16(15)22-19/h1-2,5-8,11H,3-4,9-10H2,(H2,21,22,23,25)
InChIKeyNTOPATQMOQUKCE-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.29
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide

N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide (PubChem CID 122136797) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide
PubChem CID122136797
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide
SMILESN#Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1N1CCCC1
InChIInChI=1S/C19H17N5O/c20-12-14-11-13(7-8-17(14)24-9-3-4-10-24)18(25)23-19-21-15-5-1-2-6-16(15)22-19/h1-2,5-8,11H,3-4,9-10H2,(H2,21,22,23,25)
InChIKeyNTOPATQMOQUKCE-UHFFFAOYSA-N
XLogP3.29
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
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3-amino-N-(1H-benzimidazol-2-yl)benzamide
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N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
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N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
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CID 63565075
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide (CID 122136797) is N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide is N#Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1N1CCCC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide?
The InChIKey is NTOPATQMOQUKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-12-14-11-13(7-8-17(14)24-9-3-4-10-24)18(25)23-19-21-15-5-1-2-6-16(15)22-19/h1-2,5-8,11H,3-4,9-10H2,(H2,21,22,23,25).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide?
N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide has a molecular weight of 331.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 122136797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).