[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

C20H18ClF3N4O2 — CID 55762093

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H18ClF3N4O2/c21-14-9-13(10-25-18(14)30-11-20(22,23)24)19(29)28-7-5-12(6-8-28)17-26-15-3-1-2-4-16(15)27-17/h1-4,9-10,12H,5-8,11H2,(H,26,27)
InChIKeyVNSGDPGYQKQGBO-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.57
Rot. Bonds4

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (PubChem CID 55762093) has the molecular formula C20H18ClF3N4O2 and a molecular weight of 438.84 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
PubChem CID55762093
Molecular FormulaC20H18ClF3N4O2
Molecular Weight438.84 g/mol
Exact Mass438.11
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H18ClF3N4O2/c21-14-9-13(10-25-18(14)30-11-20(22,23)24)19(29)28-7-5-12(6-8-28)17-26-15-3-1-2-4-16(15)27-17/h1-4,9-10,12H,5-8,11H2,(H,26,27)
InChIKeyVNSGDPGYQKQGBO-UHFFFAOYSA-N
XLogP4.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanone
CID 135290220
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (CID 55762093) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
The InChIKey is VNSGDPGYQKQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O2/c21-14-9-13(10-25-18(14)30-11-20(22,23)24)19(29)28-7-5-12(6-8-28)17-26-15-3-1-2-4-16(15)27-17/h1-4,9-10,12H,5-8,11H2,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone has a molecular weight of 438.84 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 55762093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).