N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide

C13H16ClN3O3 — CID 139451790

IUPACN-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1Cl)nc(OC)n2CCNC(C)=O
InChIInChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyBVSLRGAPRGQWNC-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide

N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide (PubChem CID 139451790) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
PubChem CID139451790
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1Cl)nc(OC)n2CCNC(C)=O
InChIInChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyBVSLRGAPRGQWNC-UHFFFAOYSA-N
XLogP1.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451757
N-[3-(2-ethoxy-6-methoxybenzimidazol-1-yl)propyl]acetamide
CID 139451761
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
CID 139451763
N-[3-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)propyl]acetamide
CID 139451766
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451767
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
CID 139451769
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
CID 139451776
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 139451780
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451795
N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide
CID 139451799
6-Chloro-N2,N3-diethyl-7-methoxyquinoxaline-2,3-diamine
CID 49830955
1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea
CID 71655466

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide (CID 139451790) is N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide is COc1cc2c(cc1Cl)nc(OC)n2CCNC(C)=O.
What is the InChIKey of N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is BVSLRGAPRGQWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide?
N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 297.74 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 139451790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).