N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

C25H24N4O4S — CID 17473000

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H24N4O4S/c1-33-22-13-12-17(16-23(22)34(31,32)29-14-6-7-15-29)25(30)28-19-9-3-2-8-18(19)24-26-20-10-4-5-11-21(20)27-24/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,26,27)(H,28,30)
InChIKeyXKEGNZDKHGXFII-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.28
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 17473000) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID17473000
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H24N4O4S/c1-33-22-13-12-17(16-23(22)34(31,32)29-14-6-7-15-29)25(30)28-19-9-3-2-8-18(19)24-26-20-10-4-5-11-21(20)27-24/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,26,27)(H,28,30)
InChIKeyXKEGNZDKHGXFII-UHFFFAOYSA-N
XLogP4.28
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (CID 17473000) is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XKEGNZDKHGXFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-33-22-13-12-17(16-23(22)34(31,32)29-14-6-7-15-29)25(30)28-19-9-3-2-8-18(19)24-26-20-10-4-5-11-21(20)27-24/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,26,27)(H,28,30).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 476.56 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 17473000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).