2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole

C25H46N2 — CID 18997929

IUPAC2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESCCCCCCCCC(CCCCCC)Cn1c(CC)nc2c1CCCC2
InChIInChI=1S/C25H46N2/c1-4-7-9-11-12-14-18-22(17-13-10-8-5-2)21-27-24-20-16-15-19-23(24)26-25(27)6-3/h22H,4-21H2,1-3H3
InChIKeyMFWCCQRVZOAQSF-UHFFFAOYSA-N
MW374.66 g/mol
LogP7.66
Rot. Bonds15

About 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole

2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 18997929) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole
PubChem CID18997929
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESCCCCCCCCC(CCCCCC)Cn1c(CC)nc2c1CCCC2
InChIInChI=1S/C25H46N2/c1-4-7-9-11-12-14-18-22(17-13-10-8-5-2)21-27-24-20-16-15-19-23(24)26-25(27)6-3/h22H,4-21H2,1-3H3
InChIKeyMFWCCQRVZOAQSF-UHFFFAOYSA-N
XLogP7.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole (CID 18997929) is 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole is CCCCCCCCC(CCCCCC)Cn1c(CC)nc2c1CCCC2.
What is the InChIKey of 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is MFWCCQRVZOAQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2/c1-4-7-9-11-12-14-18-22(17-13-10-8-5-2)21-27-24-20-16-15-19-23(24)26-25(27)6-3/h22H,4-21H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole?
2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 374.66 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-hexyldecyl)-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 18997929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).