N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

C25H31N3O2 — CID 3159994

IUPACN-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C25H31N3O2/c1-19-8-7-11-21(18-19)30-17-16-28-23-13-6-5-12-22(23)27-24(28)14-15-26-25(29)20-9-3-2-4-10-20/h5-8,11-13,18,20H,2-4,9-10,14-17H2,1H3,(H,26,29)
InChIKeyFZYFUIKFLFDHEJ-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.66
Rot. Bonds8

About N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide

N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 3159994) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID3159994
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESCc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C25H31N3O2/c1-19-8-7-11-21(18-19)30-17-16-28-23-13-6-5-12-22(23)27-24(28)14-15-26-25(29)20-9-3-2-4-10-20/h5-8,11-13,18,20H,2-4,9-10,14-17H2,1H3,(H,26,29)
InChIKeyFZYFUIKFLFDHEJ-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide (CID 3159994) is N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is Cc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is FZYFUIKFLFDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-8-7-11-21(18-19)30-17-16-28-23-13-6-5-12-22(23)27-24(28)14-15-26-25(29)20-9-3-2-4-10-20/h5-8,11-13,18,20H,2-4,9-10,14-17H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3159994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).