N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

C23H29N3O2 — CID 112787844

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-14(2)17-9-8-10-18(15(3)4)22(17)25-21(28)13-26-20-12-7-6-11-19(20)24-23(26)16(5)27/h6-12,14-16,27H,13H2,1-5H3,(H,25,28)
InChIKeySNLJTVCNPOIJED-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.98
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (PubChem CID 112787844) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
PubChem CID112787844
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-14(2)17-9-8-10-18(15(3)4)22(17)25-21(28)13-26-20-12-7-6-11-19(20)24-23(26)16(5)27/h6-12,14-16,27H,13H2,1-5H3,(H,25,28)
InChIKeySNLJTVCNPOIJED-UHFFFAOYSA-N
XLogP4.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 39967043
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787797
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-(2-phenylphenyl)acetamide
CID 112787842
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
2-[2-[(1S)-1-hydroxyethyl]benzimidazol-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 97310895
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (CID 112787844) is N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(C(C)O)nc2ccccc21.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The InChIKey is SNLJTVCNPOIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-14(2)17-9-8-10-18(15(3)4)22(17)25-21(28)13-26-20-12-7-6-11-19(20)24-23(26)16(5)27/h6-12,14-16,27H,13H2,1-5H3,(H,25,28).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 112787844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).