(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide

C25H33N3O2 — CID 40699037

IUPAC(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide
SMILESCc1cc(C)c(C)c(Cn2c(CCNC(=O)CC[C@H](C)O)nc3ccccc32)c1C
InChIInChI=1S/C25H33N3O2/c1-16-14-17(2)20(5)21(19(16)4)15-28-23-9-7-6-8-22(23)27-24(28)12-13-26-25(30)11-10-18(3)29/h6-9,14,18,29H,10-13,15H2,1-5H3,(H,26,30)/t18-/m0/s1
InChIKeyUNMIZLOYFPSYPQ-SFHVURJKSA-N
MW407.56 g/mol
LogP4.14
Rot. Bonds8

About (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide

(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide (PubChem CID 40699037) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide.

Molecular Properties

Compound Name(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide
PubChem CID40699037
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide
SMILESCc1cc(C)c(C)c(Cn2c(CCNC(=O)CC[C@H](C)O)nc3ccccc32)c1C
InChIInChI=1S/C25H33N3O2/c1-16-14-17(2)20(5)21(19(16)4)15-28-23-9-7-6-8-22(23)27-24(28)12-13-26-25(30)11-10-18(3)29/h6-9,14,18,29H,10-13,15H2,1-5H3,(H,26,30)/t18-/m0/s1
InChIKeyUNMIZLOYFPSYPQ-SFHVURJKSA-N
XLogP4.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]propanamide
CID 16986017
(E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980063
2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985855
(E)-3-phenyl-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 18888947
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977758

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide?
The IUPAC name of (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide (CID 40699037) is (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide.
What is the SMILES notation for (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide?
The canonical SMILES for (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide is Cc1cc(C)c(C)c(Cn2c(CCNC(=O)CC[C@H](C)O)nc3ccccc32)c1C.
What is the InChIKey of (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide?
The InChIKey is UNMIZLOYFPSYPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-16-14-17(2)20(5)21(19(16)4)15-28-23-9-7-6-8-22(23)27-24(28)12-13-26-25(30)11-10-18(3)29/h6-9,14,18,29H,10-13,15H2,1-5H3,(H,26,30)/t18-/m0/s1.
What are the key properties of (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide?
(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide has a molecular weight of 407.56 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide is sourced from PubChem (CID 40699037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).