N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine

C14H19N3O2 — CID 82359667

IUPACN-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine
SMILESC=CCn1c(NCC)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19N3O2/c1-5-7-17-11-9-13(19-4)12(18-3)8-10(11)16-14(17)15-6-2/h5,8-9H,1,6-7H2,2-4H3,(H,15,16)
InChIKeyRWEMOLAZGLEKJH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine

N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine (PubChem CID 82359667) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine
PubChem CID82359667
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine
SMILESC=CCn1c(NCC)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19N3O2/c1-5-7-17-11-9-13(19-4)12(18-3)8-10(11)16-14(17)15-6-2/h5,8-9H,1,6-7H2,2-4H3,(H,15,16)
InChIKeyRWEMOLAZGLEKJH-UHFFFAOYSA-N
XLogP2.67
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine?
The IUPAC name of N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine (CID 82359667) is N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine.
What is the SMILES notation for N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine?
The canonical SMILES for N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine is C=CCn1c(NCC)nc2cc(OC)c(OC)cc21.
What is the InChIKey of N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine?
The InChIKey is RWEMOLAZGLEKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-7-17-11-9-13(19-4)12(18-3)8-10(11)16-14(17)15-6-2/h5,8-9H,1,6-7H2,2-4H3,(H,15,16).
What are the key properties of N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine?
N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine has a molecular weight of 261.32 g/mol, XLogP of 2.67, 6 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-prop-2-enylbenzimidazol-2-amine is sourced from PubChem (CID 82359667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).