N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide

C28H35F3N4O2 — CID 68888492

IUPACN,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(C(F)(F)F)nc1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2
InChIInChI=1S/C28H35F3N4O2/c1-37-21-13-14-22-23(16-21)35-27(34-22,19-12-15-24(32-17-19)28(29,30)31)25(18-8-4-2-5-9-18)26(36)33-20-10-6-3-7-11-20/h12-18,20,25,34-35H,2-11H2,1H3,(H,33,36)
InChIKeyUYZMVWOTXIUBGP-UHFFFAOYSA-N
MW516.61 g/mol
LogP6.44
Rot. Bonds6

About N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide

N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68888492) has the molecular formula C28H35F3N4O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide
PubChem CID68888492
Molecular FormulaC28H35F3N4O2
Molecular Weight516.61 g/mol
Exact Mass516.27
IUPAC NameN,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(C(F)(F)F)nc1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2
InChIInChI=1S/C28H35F3N4O2/c1-37-21-13-14-22-23(16-21)35-27(34-22,19-12-15-24(32-17-19)28(29,30)31)25(18-8-4-2-5-9-18)26(36)33-20-10-6-3-7-11-20/h12-18,20,25,34-35H,2-11H2,1H3,(H,33,36)
InChIKeyUYZMVWOTXIUBGP-UHFFFAOYSA-N
XLogP6.44
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68888492) is N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide is COc1ccc2c(c1)NC(c1ccc(C(F)(F)F)nc1)(C(C(=O)NC1CCCCC1)C1CCCCC1)N2.
What is the InChIKey of N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide?
The InChIKey is UYZMVWOTXIUBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N4O2/c1-37-21-13-14-22-23(16-21)35-27(34-22,19-12-15-24(32-17-19)28(29,30)31)25(18-8-4-2-5-9-18)26(36)33-20-10-6-3-7-11-20/h12-18,20,25,34-35H,2-11H2,1H3,(H,33,36).
What are the key properties of N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide?
N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 516.61 g/mol, XLogP of 6.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68888492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).