3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide

C27H42N4O — CID 129276742

IUPAC3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(N2CCC(C(C)(C)C)CC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C27H42N4O/c1-5-30(22-11-7-6-8-12-22)25(32)17-20-31-24-14-10-9-13-23(24)28-26(31)29-18-15-21(16-19-29)27(2,3)4/h9-10,13-14,21-22H,5-8,11-12,15-20H2,1-4H3
InChIKeyGDJOMIWVRRAPPM-UHFFFAOYSA-N
MW438.66 g/mol
LogP5.87
Rot. Bonds6

About 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide

3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide (PubChem CID 129276742) has the molecular formula C27H42N4O and a molecular weight of 438.66 g/mol. Its IUPAC name is 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide
PubChem CID129276742
Molecular FormulaC27H42N4O
Molecular Weight438.66 g/mol
Exact Mass438.34
IUPAC Name3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)CCn1c(N2CCC(C(C)(C)C)CC2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C27H42N4O/c1-5-30(22-11-7-6-8-12-22)25(32)17-20-31-24-14-10-9-13-23(24)28-26(31)29-18-15-21(16-19-29)27(2,3)4/h9-10,13-14,21-22H,5-8,11-12,15-20H2,1-4H3
InChIKeyGDJOMIWVRRAPPM-UHFFFAOYSA-N
XLogP5.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The IUPAC name of 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide (CID 129276742) is 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide.
What is the SMILES notation for 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The canonical SMILES for 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide is CCN(C(=O)CCn1c(N2CCC(C(C)(C)C)CC2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
The InChIKey is GDJOMIWVRRAPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O/c1-5-30(22-11-7-6-8-12-22)25(32)17-20-31-24-14-10-9-13-23(24)28-26(31)29-18-15-21(16-19-29)27(2,3)4/h9-10,13-14,21-22H,5-8,11-12,15-20H2,1-4H3.
What are the key properties of 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide?
3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide has a molecular weight of 438.66 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylpiperidin-1-yl)benzimidazol-1-yl]-N-cyclohexyl-N-ethylpropanamide is sourced from PubChem (CID 129276742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).