N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide

C18H17N3O3 — CID 21008977

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c22-11-13-5-7-14(8-6-13)24-12-18(23)19-10-9-17-20-15-3-1-2-4-16(15)21-17/h1-8,11H,9-10,12H2,(H,19,23)(H,20,21)
InChIKeyVSFXWYOTJJDYLQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide (PubChem CID 21008977) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide
PubChem CID21008977
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c22-11-13-5-7-14(8-6-13)24-12-18(23)19-10-9-17-20-15-3-1-2-4-16(15)21-17/h1-8,11H,9-10,12H2,(H,19,23)(H,20,21)
InChIKeyVSFXWYOTJJDYLQ-UHFFFAOYSA-N
XLogP2.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(dihydroxyamino)phenoxy]acetamide
CID 59264890
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trifluorophenoxy)acetamide
CID 59018354
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 59018258
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
CID 78769748
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991053
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide (CID 21008977) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide is O=Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide?
The InChIKey is VSFXWYOTJJDYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-11-13-5-7-14(8-6-13)24-12-18(23)19-10-9-17-20-15-3-1-2-4-16(15)21-17/h1-8,11H,9-10,12H2,(H,19,23)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 21008977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).