N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide

C18H24ClN3O3 — CID 91842488

IUPACN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCCO1)NCCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H24ClN3O3/c19-13-6-7-15-16(10-13)22-17(21-15)5-3-8-20-18(23)12-24-11-14-4-1-2-9-25-14/h6-7,10,14H,1-5,8-9,11-12H2,(H,20,23)(H,21,22)
InChIKeyHNZSFNRRJNKNIP-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.85
Rot. Bonds8

About N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide

N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 91842488) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
PubChem CID91842488
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESO=C(COCC1CCCCO1)NCCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H24ClN3O3/c19-13-6-7-15-16(10-13)22-17(21-15)5-3-8-20-18(23)12-24-11-14-4-1-2-9-25-14/h6-7,10,14H,1-5,8-9,11-12H2,(H,20,23)(H,21,22)
InChIKeyHNZSFNRRJNKNIP-UHFFFAOYSA-N
XLogP2.85
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide
CID 118795559
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124758955
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride
CID 154909809
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]acetamide
CID 166618219
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125177273
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91786223
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95616406
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408032

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide (CID 91842488) is N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide is O=C(COCC1CCCCO1)NCCCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is HNZSFNRRJNKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c19-13-6-7-15-16(10-13)22-17(21-15)5-3-8-20-18(23)12-24-11-14-4-1-2-9-25-14/h6-7,10,14H,1-5,8-9,11-12H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide?
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 365.86 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 91842488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).