1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine

C15H20ClN3 — CID 64669272

IUPAC1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
SMILESCCCn1c(C(C)(N)C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-3-8-19-13-7-6-11(16)9-12(13)18-14(19)15(2,17)10-4-5-10/h6-7,9-10H,3-5,8,17H2,1-2H3
InChIKeyHOHDPUFXAWTGEM-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.68
Rot. Bonds4

About 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine

1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine (PubChem CID 64669272) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
PubChem CID64669272
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
SMILESCCCn1c(C(C)(N)C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-3-8-19-13-7-6-11(16)9-12(13)18-14(19)15(2,17)10-4-5-10/h6-7,9-10H,3-5,8,17H2,1-2H3
InChIKeyHOHDPUFXAWTGEM-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine?
The IUPAC name of 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine (CID 64669272) is 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine.
What is the SMILES notation for 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine?
The canonical SMILES for 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine is CCCn1c(C(C)(N)C2CC2)nc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine?
The InChIKey is HOHDPUFXAWTGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-8-19-13-7-6-11(16)9-12(13)18-14(19)15(2,17)10-4-5-10/h6-7,9-10H,3-5,8,17H2,1-2H3.
What are the key properties of 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine?
1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine is sourced from PubChem (CID 64669272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).