N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C17H19N5O2S — CID 2547545

IUPACN-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2nc3ccccc3[nH]2)nc1)N1CCCC1
InChIInChI=1S/C17H19N5O2S/c23-25(24,22-9-3-4-10-22)13-7-8-16(18-11-13)19-12-17-20-14-5-1-2-6-15(14)21-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyLMDXCUAWGHBNLW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.35
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 2547545) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID2547545
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2nc3ccccc3[nH]2)nc1)N1CCCC1
InChIInChI=1S/C17H19N5O2S/c23-25(24,22-9-3-4-10-22)13-7-8-16(18-11-13)19-12-17-20-14-5-1-2-6-15(14)21-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,18,19)(H,20,21)
InChIKeyLMDXCUAWGHBNLW-UHFFFAOYSA-N
XLogP2.35
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7546016
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
CID 133472179
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 2547545) is N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCc2nc3ccccc3[nH]2)nc1)N1CCCC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is LMDXCUAWGHBNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-25(24,22-9-3-4-10-22)13-7-8-16(18-11-13)19-12-17-20-14-5-1-2-6-15(14)21-17/h1-2,5-8,11H,3-4,9-10,12H2,(H,18,19)(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 357.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2547545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).