2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

C13H13ClF3N3 — CID 115473334

IUPAC2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc2ccc(Cl)cc2n1C1CC1)C(F)(F)F
InChIInChI=1S/C13H13ClF3N3/c1-12(18,13(15,16)17)11-19-9-5-2-7(14)6-10(9)20(11)8-3-4-8/h2,5-6,8H,3-4,18H2,1H3
InChIKeyNDZIEDYBUXRYGU-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.76
Rot. Bonds2

About 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 115473334) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID115473334
Molecular FormulaC13H13ClF3N3
Molecular Weight303.71 g/mol
Exact Mass303.08
IUPAC Name2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc2ccc(Cl)cc2n1C1CC1)C(F)(F)F
InChIInChI=1S/C13H13ClF3N3/c1-12(18,13(15,16)17)11-19-9-5-2-7(14)6-10(9)20(11)8-3-4-8/h2,5-6,8H,3-4,18H2,1H3
InChIKeyNDZIEDYBUXRYGU-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799089
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915509
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 115473211
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
CID 115473210
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3,3-dimethylbutanoic acid
CID 115472319
3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine
CID 114202909
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
CID 113316669
3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
CID 115473273
2-amino-2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 113316662

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (CID 115473334) is 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is CC(N)(c1nc2ccc(Cl)cc2n1C1CC1)C(F)(F)F.
What is the InChIKey of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is NDZIEDYBUXRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-12(18,13(15,16)17)11-19-9-5-2-7(14)6-10(9)20(11)8-3-4-8/h2,5-6,8H,3-4,18H2,1H3.
What are the key properties of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 303.71 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 115473334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).