butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate

C16H23N3O2 — CID 82359022

IUPACbutan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
SMILESCCC(C)OC(=O)C(C)n1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C16H23N3O2/c1-6-11(4)21-15(20)12(5)19-14-8-10(3)9(2)7-13(14)18-16(19)17/h7-8,11-12H,6H2,1-5H3,(H2,17,18)
InChIKeyGWMOWQNNOXIDDO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.14
Rot. Bonds4

About butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate

butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate (PubChem CID 82359022) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namebutan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
PubChem CID82359022
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namebutan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
SMILESCCC(C)OC(=O)C(C)n1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C16H23N3O2/c1-6-11(4)21-15(20)12(5)19-14-8-10(3)9(2)7-13(14)18-16(19)17/h7-8,11-12H,6H2,1-5H3,(H2,17,18)
InChIKeyGWMOWQNNOXIDDO-UHFFFAOYSA-N
XLogP3.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
CID 82359019
3-(2-amino-5,6-dimethylbenzimidazol-1-yl)butan-2-one
CID 82359054
ethyl 2-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080797
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66076580
butan-2-yl 2-[2-(ethylamino)benzimidazol-1-yl]propanoate
CID 82359536
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate
CID 82359619
propyl 2-(2-aminobenzimidazol-1-yl)propanoate
CID 82358921
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
butan-2-yl 2-(4-amino-2-propylbenzimidazol-1-yl)propanoate
CID 82067301
1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
CID 72710310
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
The IUPAC name of butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate (CID 82359022) is butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate.
What is the SMILES notation for butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
The canonical SMILES for butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate is CCC(C)OC(=O)C(C)n1c(N)nc2cc(C)c(C)cc21.
What is the InChIKey of butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
The InChIKey is GWMOWQNNOXIDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-11(4)21-15(20)12(5)19-14-8-10(3)9(2)7-13(14)18-16(19)17/h7-8,11-12H,6H2,1-5H3,(H2,17,18).
What are the key properties of butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate has a molecular weight of 289.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate is sourced from PubChem (CID 82359022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).