N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide

C21H27F3N4O3S — CID 53064104

IUPACN-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESO=C(CCn1c(C(F)(F)F)nc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1
InChIInChI=1S/C21H27F3N4O3S/c22-21(23,24)20-26-17-14-16(32(30,31)27-11-4-5-12-27)8-9-18(17)28(20)13-10-19(29)25-15-6-2-1-3-7-15/h8-9,14-15H,1-7,10-13H2,(H,25,29)
InChIKeyGCNNKBNVJYLPKI-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.68
Rot. Bonds6

About N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide

N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide (PubChem CID 53064104) has the molecular formula C21H27F3N4O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide
PubChem CID53064104
Molecular FormulaC21H27F3N4O3S
Molecular Weight472.53 g/mol
Exact Mass472.18
IUPAC NameN-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESO=C(CCn1c(C(F)(F)F)nc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1
InChIInChI=1S/C21H27F3N4O3S/c22-21(23,24)20-26-17-14-16(32(30,31)27-11-4-5-12-27)8-9-18(17)28(20)13-10-19(29)25-15-6-2-1-3-7-15/h8-9,14-15H,1-7,10-13H2,(H,25,29)
InChIKeyGCNNKBNVJYLPKI-UHFFFAOYSA-N
XLogP3.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55481888
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077600
N-(4-methylcyclohexyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
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3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
CID 56559217
N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 46787462
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 4826957
3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95067154
N-(1-benzylpiperidin-4-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064359
[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377101
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide (CID 53064104) is N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide is O=C(CCn1c(C(F)(F)F)nc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The InChIKey is GCNNKBNVJYLPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O3S/c22-21(23,24)20-26-17-14-16(32(30,31)27-11-4-5-12-27)8-9-18(17)28(20)13-10-19(29)25-15-6-2-1-3-7-15/h8-9,14-15H,1-7,10-13H2,(H,25,29).
What are the key properties of N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide has a molecular weight of 472.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 53064104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).