2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

C23H28FN3O — CID 19243215

IUPAC2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C23H28FN3O/c1-16(2)13-26(14-17(3)4)22(28)15-27-21-8-6-5-7-20(21)25-23(27)18-9-11-19(24)12-10-18/h5-12,16-17H,13-15H2,1-4H3
InChIKeyQFCMQUKOGGMRAW-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.98
Rot. Bonds7

About 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 19243215) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID19243215
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C23H28FN3O/c1-16(2)13-26(14-17(3)4)22(28)15-27-21-8-6-5-7-20(21)25-23(27)18-9-11-19(24)12-10-18/h5-12,16-17H,13-15H2,1-4H3
InChIKeyQFCMQUKOGGMRAW-UHFFFAOYSA-N
XLogP4.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 19243215) is 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is QFCMQUKOGGMRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-16(2)13-26(14-17(3)4)22(28)15-27-21-8-6-5-7-20(21)25-23(27)18-9-11-19(24)12-10-18/h5-12,16-17H,13-15H2,1-4H3.
What are the key properties of 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 19243215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).