7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

C16H16N4O2S — CID 46191079

IUPAC7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C16H16N4O2S/c21-11-4-3-10(16(22)18-9-5-6-17-8-9)13-14(11)20-15(19-13)12-2-1-7-23-12/h1-4,7,9,17,21H,5-6,8H2,(H,18,22)(H,19,20)
InChIKeyWTHXQDHNQUSBSY-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.09
Rot. Bonds3

About 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 46191079) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID46191079
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C16H16N4O2S/c21-11-4-3-10(16(22)18-9-5-6-17-8-9)13-14(11)20-15(19-13)12-2-1-7-23-12/h1-4,7,9,17,21H,5-6,8H2,(H,18,22)(H,19,20)
InChIKeyWTHXQDHNQUSBSY-UHFFFAOYSA-N
XLogP2.09
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone
CID 143935646
7-hydroxy-N-[2-(4-methylanilino)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 67084259
7-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628621
(3R)-3-[(7-methoxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]piperidine-1-carboxylic acid
CID 141269972
7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628153
3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylic acid
CID 67368009
7-hydroxy-N-[2-(4-nitrophenoxy)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628156
methyl 3-[2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]-1H-indol-3-yl]propanoate
CID 67360628
tert-butyl (3S)-3-[[2-(5-bromothiophen-2-yl)-7-hydroxy-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;7-hydroxy-2-(5-piperazin-1-ylthiophen-2-yl)-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide;tritium monohydride;uranium
CID 157082295
4-[3-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-3-oxopropyl]benzenesulfonamide
CID 58381383
2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107732166
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 46191079) is 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is O=C(NC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is WTHXQDHNQUSBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-11-4-3-10(16(22)18-9-5-6-17-8-9)13-14(11)20-15(19-13)12-2-1-7-23-12/h1-4,7,9,17,21H,5-6,8H2,(H,18,22)(H,19,20).
What are the key properties of 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46191079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).