2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

C13H15ClF3N3 — CID 79799186

IUPAC2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCCCn1c(C(C)(N)C(F)(F)F)nc2cccc(Cl)c21
InChIInChI=1S/C13H15ClF3N3/c1-3-7-20-10-8(14)5-4-6-9(10)19-11(20)12(2,18)13(15,16)17/h4-6H,3,7,18H2,1-2H3
InChIKeyFNAPYHPNFUYOMN-UHFFFAOYSA-N
MW305.73 g/mol
LogP3.84
Rot. Bonds3

About 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 79799186) has the molecular formula C13H15ClF3N3 and a molecular weight of 305.73 g/mol. Its IUPAC name is 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID79799186
Molecular FormulaC13H15ClF3N3
Molecular Weight305.73 g/mol
Exact Mass305.09
IUPAC Name2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCCCn1c(C(C)(N)C(F)(F)F)nc2cccc(Cl)c21
InChIInChI=1S/C13H15ClF3N3/c1-3-7-20-10-8(14)5-4-6-9(10)19-11(20)12(2,18)13(15,16)17/h4-6H,3,7,18H2,1-2H3
InChIKeyFNAPYHPNFUYOMN-UHFFFAOYSA-N
XLogP3.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (CID 79799186) is 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is CCCn1c(C(C)(N)C(F)(F)F)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is FNAPYHPNFUYOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3/c1-3-7-20-10-8(14)5-4-6-9(10)19-11(20)12(2,18)13(15,16)17/h4-6H,3,7,18H2,1-2H3.
What are the key properties of 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 305.73 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-propylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79799186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).