N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide

C18H16N4O2 — CID 59018258

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
SMILESN#Cc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H16N4O2/c19-11-13-4-3-5-14(10-13)24-12-18(23)20-9-8-17-21-15-6-1-2-7-16(15)22-17/h1-7,10H,8-9,12H2,(H,20,23)(H,21,22)
InChIKeyANSFQAHXUHHWKS-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.17
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide (PubChem CID 59018258) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
PubChem CID59018258
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
SMILESN#Cc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H16N4O2/c19-11-13-4-3-5-14(10-13)24-12-18(23)20-9-8-17-21-15-6-1-2-7-16(15)22-17/h1-7,10H,8-9,12H2,(H,20,23)(H,21,22)
InChIKeyANSFQAHXUHHWKS-UHFFFAOYSA-N
XLogP2.17
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-formylphenoxy)acetamide
CID 21008977
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]-3-propoxybenzamide
CID 21008909
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide (CID 59018258) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide is N#Cc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide?
The InChIKey is ANSFQAHXUHHWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-11-13-4-3-5-14(10-13)24-12-18(23)20-9-8-17-21-15-6-1-2-7-16(15)22-17/h1-7,10H,8-9,12H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide has a molecular weight of 320.35 g/mol, XLogP of 2.17, 6 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-(3-cyanophenoxy)acetamide is sourced from PubChem (CID 59018258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).