N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

C19H25F2N3O3 — CID 134357670

IUPACN-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cc(F)c(F)cc3n2C)CC1
InChIInChI=1S/C19H25F2N3O3/c1-11(22-12(2)25)10-26-13-4-6-14(7-5-13)27-19-23-17-8-15(20)16(21)9-18(17)24(19)3/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,22,25)/t11-,13?,14?/m0/s1
InChIKeyQYGUDLCUDXGFHP-XGNXJENSSA-N
MW381.42 g/mol
LogP3.08
Rot. Bonds6

About N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 134357670) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID134357670
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC NameN-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cc(F)c(F)cc3n2C)CC1
InChIInChI=1S/C19H25F2N3O3/c1-11(22-12(2)25)10-26-13-4-6-14(7-5-13)27-19-23-17-8-15(20)16(21)9-18(17)24(19)3/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,22,25)/t11-,13?,14?/m0/s1
InChIKeyQYGUDLCUDXGFHP-XGNXJENSSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (CID 134357670) is N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2nc3cc(F)c(F)cc3n2C)CC1.
What is the InChIKey of N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is QYGUDLCUDXGFHP-XGNXJENSSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c1-11(22-12(2)25)10-26-13-4-6-14(7-5-13)27-19-23-17-8-15(20)16(21)9-18(17)24(19)3/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,22,25)/t11-,13?,14?/m0/s1.
What are the key properties of N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 381.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 134357670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).