methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate

C16H23N3O2 — CID 82359619

IUPACmethyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate
SMILESCCNc1nc2cc(C)c(C)cc2n1C(CC)C(=O)OC
InChIInChI=1S/C16H23N3O2/c1-6-13(15(20)21-5)19-14-9-11(4)10(3)8-12(14)18-16(19)17-7-2/h8-9,13H,6-7H2,1-5H3,(H,17,18)
InChIKeyIDSYSTXMEFSVDU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate

methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate (PubChem CID 82359619) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate
PubChem CID82359619
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namemethyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate
SMILESCCNc1nc2cc(C)c(C)cc2n1C(CC)C(=O)OC
InChIInChI=1S/C16H23N3O2/c1-6-13(15(20)21-5)19-14-9-11(4)10(3)8-12(14)18-16(19)17-7-2/h8-9,13H,6-7H2,1-5H3,(H,17,18)
InChIKeyIDSYSTXMEFSVDU-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359524
methyl 2-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)butanoate
CID 82359220
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
methyl 2-(2-amino-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanoate
CID 82359273
4-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82359658
3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 82359653
butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
CID 82359022
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
CID 82359019
ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate
CID 64660849
butan-2-yl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359536
(2R)-N-(3,4-dimethoxyphenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887516

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate?
The IUPAC name of methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate (CID 82359619) is methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate.
What is the SMILES notation for methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate?
The canonical SMILES for methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate is CCNc1nc2cc(C)c(C)cc2n1C(CC)C(=O)OC.
What is the InChIKey of methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate?
The InChIKey is IDSYSTXMEFSVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-13(15(20)21-5)19-14-9-11(4)10(3)8-12(14)18-16(19)17-7-2/h8-9,13H,6-7H2,1-5H3,(H,17,18).
What are the key properties of methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate?
methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate has a molecular weight of 289.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate is sourced from PubChem (CID 82359619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).