N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide

C22H25FN4O — CID 1462281

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1nc2ccccc2n1C1CCN(CC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN4O/c1-16-25-20-4-2-3-5-21(20)27(16)19-10-12-26(13-11-19)15-22(28)24-14-17-6-8-18(23)9-7-17/h2-9,19H,10-15H2,1H3,(H,24,28)
InChIKeyXPGVOYNMQNXSSA-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1462281) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1462281
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1nc2ccccc2n1C1CCN(CC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN4O/c1-16-25-20-4-2-3-5-21(20)27(16)19-10-12-26(13-11-19)15-22(28)24-14-17-6-8-18(23)9-7-17/h2-9,19H,10-15H2,1H3,(H,24,28)
InChIKeyXPGVOYNMQNXSSA-UHFFFAOYSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide (CID 1462281) is N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide is Cc1nc2ccccc2n1C1CCN(CC(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is XPGVOYNMQNXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-16-25-20-4-2-3-5-21(20)27(16)19-10-12-26(13-11-19)15-22(28)24-14-17-6-8-18(23)9-7-17/h2-9,19H,10-15H2,1H3,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1462281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).