3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide

C23H28N4O2 — CID 59534196

IUPAC3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc3nc(N[C@H](C)C4CCCCC4)[nH]c3c2)c1
InChIInChI=1S/C23H28N4O2/c1-15(16-7-4-3-5-8-16)25-23-26-20-12-11-19(14-21(20)27-23)29-18-10-6-9-17(13-18)22(28)24-2/h6,9-16H,3-5,7-8H2,1-2H3,(H,24,28)(H2,25,26,27)/t15-/m1/s1
InChIKeyIFOBJCRGZJTMHN-OAHLLOKOSA-N
MW392.50 g/mol
LogP5.10
Rot. Bonds6

About 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide

3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide (PubChem CID 59534196) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide
PubChem CID59534196
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc3nc(N[C@H](C)C4CCCCC4)[nH]c3c2)c1
InChIInChI=1S/C23H28N4O2/c1-15(16-7-4-3-5-8-16)25-23-26-20-12-11-19(14-21(20)27-23)29-18-10-6-9-17(13-18)22(28)24-2/h6,9-16H,3-5,7-8H2,1-2H3,(H,24,28)(H2,25,26,27)/t15-/m1/s1
InChIKeyIFOBJCRGZJTMHN-OAHLLOKOSA-N
XLogP5.10
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide?
The IUPAC name of 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide (CID 59534196) is 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide is CNC(=O)c1cccc(Oc2ccc3nc(N[C@H](C)C4CCCCC4)[nH]c3c2)c1.
What is the InChIKey of 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide?
The InChIKey is IFOBJCRGZJTMHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15(16-7-4-3-5-8-16)25-23-26-20-12-11-19(14-21(20)27-23)29-18-10-6-9-17(13-18)22(28)24-2/h6,9-16H,3-5,7-8H2,1-2H3,(H,24,28)(H2,25,26,27)/t15-/m1/s1.
What are the key properties of 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide?
3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide is sourced from PubChem (CID 59534196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).