N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C19H20N4O3S — CID 2361115

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N4O3S/c24-19(20-13-18-21-16-5-1-2-6-17(16)22-18)14-7-9-15(10-8-14)27(25,26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2,(H,20,24)(H,21,22)
InChIKeyRGEJEBFSAUMZKZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.28
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2361115) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2361115
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N4O3S/c24-19(20-13-18-21-16-5-1-2-6-17(16)22-18)14-7-9-15(10-8-14)27(25,26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2,(H,20,24)(H,21,22)
InChIKeyRGEJEBFSAUMZKZ-UHFFFAOYSA-N
XLogP2.28
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2361115) is N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RGEJEBFSAUMZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(20-13-18-21-16-5-1-2-6-17(16)22-18)14-7-9-15(10-8-14)27(25,26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2361115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).