N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

C18H20N4O2S — CID 46191152

IUPACN-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)CC1
InChIInChI=1S/C18H20N4O2S/c19-10-3-5-11(6-4-10)20-18(24)12-7-8-13(23)16-15(12)21-17(22-16)14-2-1-9-25-14/h1-2,7-11,23H,3-6,19H2,(H,20,24)(H,21,22)
InChIKeyKADSEBMOTREHLE-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds3

About N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 46191152) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID46191152
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)CC1
InChIInChI=1S/C18H20N4O2S/c19-10-3-5-11(6-4-10)20-18(24)12-7-8-13(23)16-15(12)21-17(22-16)14-2-1-9-25-14/h1-2,7-11,23H,3-6,19H2,(H,20,24)(H,21,22)
InChIKeyKADSEBMOTREHLE-UHFFFAOYSA-N
XLogP3.00
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 9869237
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-(2,4-difluorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 57398405
2-(4-fluorophenyl)-7-hydroxy-N-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]-1H-benzimidazole-4-carboxamide
CID 57398406
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

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 46191152) is N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is NC1CCC(NC(=O)c2ccc(O)c3[nH]c(-c4cccs4)nc23)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is KADSEBMOTREHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c19-10-3-5-11(6-4-10)20-18(24)12-7-8-13(23)16-15(12)21-17(22-16)14-2-1-9-25-14/h1-2,7-11,23H,3-6,19H2,(H,20,24)(H,21,22).
What are the key properties of N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46191152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).