N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine

C15H21N3O2 — CID 82359683

IUPACN-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine
SMILESC=C(C)Cn1c(NCC)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H21N3O2/c1-6-16-15-17-11-7-13(19-4)14(20-5)8-12(11)18(15)9-10(2)3/h7-8H,2,6,9H2,1,3-5H3,(H,16,17)
InChIKeyQVNBSPDLEORSTP-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine

N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine (PubChem CID 82359683) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine
PubChem CID82359683
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine
SMILESC=C(C)Cn1c(NCC)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H21N3O2/c1-6-16-15-17-11-7-13(19-4)14(20-5)8-12(11)18(15)9-10(2)3/h7-8H,2,6,9H2,1,3-5H3,(H,16,17)
InChIKeyQVNBSPDLEORSTP-UHFFFAOYSA-N
XLogP3.06
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5,6-dimethoxy-1-prop-2-enylbenzimidazol-2-amine
CID 82359667
N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine
CID 82359675
2-N,3-N-diethyl-6,7-dimethoxyquinoxaline-2,3-diamine
CID 56953586
3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 82359653
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519
2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 82149576
4-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82359658
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
CID 82150142
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine?
The IUPAC name of N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine (CID 82359683) is N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine.
What is the SMILES notation for N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine?
The canonical SMILES for N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine is C=C(C)Cn1c(NCC)nc2cc(OC)c(OC)cc21.
What is the InChIKey of N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine?
The InChIKey is QVNBSPDLEORSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-6-16-15-17-11-7-13(19-4)14(20-5)8-12(11)18(15)9-10(2)3/h7-8H,2,6,9H2,1,3-5H3,(H,16,17).
What are the key properties of N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine?
N-ethyl-5,6-dimethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.06, 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-(2-methylprop-2-enyl)benzimidazol-2-amine is sourced from PubChem (CID 82359683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).