2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide

C21H23N3O3 — CID 44628376

IUPAC2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(O)c2[nH]c(C3CCCC3)nc12
InChIInChI=1S/C21H23N3O3/c25-15-7-5-13(6-8-15)11-12-22-21(27)16-9-10-17(26)19-18(16)23-20(24-19)14-3-1-2-4-14/h5-10,14,25-26H,1-4,11-12H2,(H,22,27)(H,23,24)
InChIKeyCUPJXQFPTJBZOZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.60
Rot. Bonds5

About 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide

2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 44628376) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
PubChem CID44628376
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(O)c2[nH]c(C3CCCC3)nc12
InChIInChI=1S/C21H23N3O3/c25-15-7-5-13(6-8-15)11-12-22-21(27)16-9-10-17(26)19-18(16)23-20(24-19)14-3-1-2-4-14/h5-10,14,25-26H,1-4,11-12H2,(H,22,27)(H,23,24)
InChIKeyCUPJXQFPTJBZOZ-UHFFFAOYSA-N
XLogP3.60
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
CID 135546482
3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid
CID 132471759
2-(2,4-Dichloro-Phenyl)-7-Hydroxy-1h-Benzoimidazole-4-Carboxylic Acid [2-(4-Methanesulfonylamino-Phenyl)-Ethyl]-Amide
CID 16758212
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-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
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 44325479
2-(2,4-dichlorophenyl)-7-hydroxy-N-phenethyl-1H-benzo[d]imidazole-4-carboxamide
CID 44441935
4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide
CID 44530598
N-(4-(2-morpholinoacetamido)phenethyl)-2-(4-fluorophenyl)-7-hydroxy-1H-benzo[d]imidazole-4-carboxamide
CID 45267779
2-(2-chloro-4-fluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-1H-benzimidazole-4-carboxamide
CID 45272193

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide (CID 44628376) is 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1ccc(O)c2[nH]c(C3CCCC3)nc12.
What is the InChIKey of 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is CUPJXQFPTJBZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-15-7-5-13(6-8-15)11-12-22-21(27)16-9-10-17(26)19-18(16)23-20(24-19)14-3-1-2-4-14/h5-10,14,25-26H,1-4,11-12H2,(H,22,27)(H,23,24).
What are the key properties of 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44628376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).