2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide

C17H13ClF3N3O — CID 154271099

IUPAC2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESC[C@H](c1nc2ccc(Cl)cc2[nH]1)c1c(C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O/c1-8(16-23-12-6-5-9(18)7-13(12)24-16)14-10(15(22)25)3-2-4-11(14)17(19,20)21/h2-8H,1H3,(H2,22,25)(H,23,24)/t8-/m0/s1
InChIKeyMRMKMNLVAKRZLM-QMMMGPOBSA-N
MW367.76 g/mol
LogP4.49
Rot. Bonds3

About 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide

2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 154271099) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID154271099
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESC[C@H](c1nc2ccc(Cl)cc2[nH]1)c1c(C(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O/c1-8(16-23-12-6-5-9(18)7-13(12)24-16)14-10(15(22)25)3-2-4-11(14)17(19,20)21/h2-8H,1H3,(H2,22,25)(H,23,24)/t8-/m0/s1
InChIKeyMRMKMNLVAKRZLM-QMMMGPOBSA-N
XLogP4.49
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-1H-indazole-4-carboxamide
CID 146145810
2-(1-bromoethyl)-6-chloro-1H-benzimidazole
CID 82020457
(2S)-2-(6-chloro-1H-benzimidazol-2-yl)-4,4,4-trifluoro-3-oxobutanenitrile
CID 6920730
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3,5-bis(trifluoromethyl)pyridin-2-amine
CID 166336156
2-chloro-N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide
CID 146094480
(1R,2R)-1-amino-1-(6-chloro-1H-benzimidazol-2-yl)propan-2-ol;(1R,2R)-1-(6-chloro-1H-benzimidazol-2-yl)-1-(methylamino)propan-2-ol
CID 157385067
3-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 122154209
1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one
CID 158634585
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 154271099) is 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide is C[C@H](c1nc2ccc(Cl)cc2[nH]1)c1c(C(N)=O)cccc1C(F)(F)F.
What is the InChIKey of 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MRMKMNLVAKRZLM-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c1-8(16-23-12-6-5-9(18)7-13(12)24-16)14-10(15(22)25)3-2-4-11(14)17(19,20)21/h2-8H,1H3,(H2,22,25)(H,23,24)/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 367.76 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 154271099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).