N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine

C16H25N3O2 — CID 82359675

IUPACN-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine
SMILESCCNc1nc2cc(OC)c(OC)cc2n1CCC(C)C
InChIInChI=1S/C16H25N3O2/c1-6-17-16-18-12-9-14(20-4)15(21-5)10-13(12)19(16)8-7-11(2)3/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyFFXHXMLXEXVQIU-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.53
Rot. Bonds7

About N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine

N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine (PubChem CID 82359675) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine
PubChem CID82359675
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine
SMILESCCNc1nc2cc(OC)c(OC)cc2n1CCC(C)C
InChIInChI=1S/C16H25N3O2/c1-6-17-16-18-12-9-14(20-4)15(21-5)10-13(12)19(16)8-7-11(2)3/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyFFXHXMLXEXVQIU-UHFFFAOYSA-N
XLogP3.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine?
The IUPAC name of N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine (CID 82359675) is N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine.
What is the SMILES notation for N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine?
The canonical SMILES for N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine is CCNc1nc2cc(OC)c(OC)cc2n1CCC(C)C.
What is the InChIKey of N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine?
The InChIKey is FFXHXMLXEXVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-17-16-18-12-9-14(20-4)15(21-5)10-13(12)19(16)8-7-11(2)3/h9-11H,6-8H2,1-5H3,(H,17,18).
What are the key properties of N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine?
N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine is sourced from PubChem (CID 82359675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).