N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide

C18H18ClN3O2 — CID 77092358

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCc1nc2ccc(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2/c1-24-17(12-5-3-2-4-6-12)18(23)20-10-9-16-21-14-8-7-13(19)11-15(14)22-16/h2-8,11,17H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyGRFOGLQXYNZJRQ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide (PubChem CID 77092358) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide
PubChem CID77092358
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCc1nc2ccc(Cl)cc2[nH]1)c1ccccc1
InChIInChI=1S/C18H18ClN3O2/c1-24-17(12-5-3-2-4-6-12)18(23)20-10-9-16-21-14-8-7-13(19)11-15(14)22-16/h2-8,11,17H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyGRFOGLQXYNZJRQ-UHFFFAOYSA-N
XLogP3.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 125165861
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089678
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 77084249
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 91775402
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337147
(3S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 51597494
2-methoxy-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
CID 90651915
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125177273

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide (CID 77092358) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NCCc1nc2ccc(Cl)cc2[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide?
The InChIKey is GRFOGLQXYNZJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-24-17(12-5-3-2-4-6-12)18(23)20-10-9-16-21-14-8-7-13(19)11-15(14)22-16/h2-8,11,17H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide has a molecular weight of 343.81 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 77092358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).