2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine

C13H16ClN3O — CID 114144451

IUPAC2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C13H16ClN3O/c1-18-11(7-15)13-16-10-4-2-3-9(14)12(10)17(13)8-5-6-8/h2-4,8,11H,5-7,15H2,1H3
InChIKeyAGWRZHZRNFBJOT-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.67
Rot. Bonds4

About 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine

2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine (PubChem CID 114144451) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine
PubChem CID114144451
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nc2cccc(Cl)c2n1C1CC1
InChIInChI=1S/C13H16ClN3O/c1-18-11(7-15)13-16-10-4-2-3-9(14)12(10)17(13)8-5-6-8/h2-4,8,11H,5-7,15H2,1H3
InChIKeyAGWRZHZRNFBJOT-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine?
The IUPAC name of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine (CID 114144451) is 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine is COC(CN)c1nc2cccc(Cl)c2n1C1CC1.
What is the InChIKey of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine?
The InChIKey is AGWRZHZRNFBJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-18-11(7-15)13-16-10-4-2-3-9(14)12(10)17(13)8-5-6-8/h2-4,8,11H,5-7,15H2,1H3.
What are the key properties of 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine?
2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methoxyethanamine is sourced from PubChem (CID 114144451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).