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

C17H18N4O2S — CID 46191081

IUPAC7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C17H18N4O2S/c22-12-4-3-11(17(23)19-9-10-5-6-18-8-10)14-15(12)21-16(20-14)13-2-1-7-24-13/h1-4,7,10,18,22H,5-6,8-9H2,(H,19,23)(H,20,21)
InChIKeyNJKUDKWJZPVSAI-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.34
Rot. Bonds4

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

7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 46191081) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID46191081
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C17H18N4O2S/c22-12-4-3-11(17(23)19-9-10-5-6-18-8-10)14-15(12)21-16(20-14)13-2-1-7-24-13/h1-4,7,10,18,22H,5-6,8-9H2,(H,19,23)(H,20,21)
InChIKeyNJKUDKWJZPVSAI-UHFFFAOYSA-N
XLogP2.34
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-N-phenethyl-2-phenyl-1H-benzo[d]imidazole-7-carboxamide
CID 44441925
N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 57393136
N-benzyl-7-hydroxy-2-phenyl-1H-benzo[d]imidazole-4-carboxamide
CID 10382823
N-(4-(methylsulfonamido)phenethyl)-7-hydroxy-2-phenyl-1H-benzo[d]imidazole-4-carboxamide
CID 24180565
2-cyclopentyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 57396633
2-cyclopropyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 57401875
N-[2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]ethyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 57401876
7-hydroxy-N-[3-(4-methylimidazol-1-yl)propyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 57403589
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide
CID 70688399
2-(5-bromothiophen-2-yl)-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 45375850
2-Cyclopropyl-4-hydroxy-n-(piperidin-2-ylmethyl)-1h-benzo[d]imidazole-7-carboxamide
CID 46190863
(S)-2-cyclopropyl-4-hydroxy-N-(piperidin-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 46190865

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 46191081) is 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is O=C(NCC1CCNC1)c1ccc(O)c2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is NJKUDKWJZPVSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-12-4-3-11(17(23)19-9-10-5-6-18-8-10)14-15(12)21-16(20-14)13-2-1-7-24-13/h1-4,7,10,18,22H,5-6,8-9H2,(H,19,23)(H,20,21).
What are the key properties of 7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
7-hydroxy-N-(pyrrolidin-3-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.34, 4 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-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46191081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).