N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide

C22H29N3O2 — CID 9110781

IUPACN-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(CCCO)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N3O2/c26-7-3-6-20-23-18-4-1-2-5-19(18)25(20)14-21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4-5,15-17,26H,3,6-14H2,(H,24,27)
InChIKeyPAHKLHYUDIHFCF-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.05
Rot. Bonds6

About N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide

N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide (PubChem CID 9110781) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide
PubChem CID9110781
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(CCCO)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N3O2/c26-7-3-6-20-23-18-4-1-2-5-19(18)25(20)14-21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4-5,15-17,26H,3,6-14H2,(H,24,27)
InChIKeyPAHKLHYUDIHFCF-UHFFFAOYSA-N
XLogP3.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995553
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539
[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
CID 112787651
N-(1-adamantylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 4811811
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]ethanone
CID 16995549
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243040
N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795070
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
CID 63636509
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031290

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide (CID 9110781) is N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(CCCO)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide?
The InChIKey is PAHKLHYUDIHFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-7-3-6-20-23-18-4-1-2-5-19(18)25(20)14-21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4-5,15-17,26H,3,6-14H2,(H,24,27).
What are the key properties of N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide?
N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 9110781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).