N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide

C20H23FN4O — CID 23633745

IUPACN-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cnc2cccc(F)c21)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C20H23FN4O/c1-13(16-9-8-14(10-22-16)20(2,3)4)24-18(26)11-25-12-23-17-7-5-6-15(21)19(17)25/h5-10,12-13H,11H2,1-4H3,(H,24,26)
InChIKeyOMVUJNXFGHONLR-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide

N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide (PubChem CID 23633745) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide
PubChem CID23633745
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1cnc2cccc(F)c21)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C20H23FN4O/c1-13(16-9-8-14(10-22-16)20(2,3)4)24-18(26)11-25-12-23-17-7-5-6-15(21)19(17)25/h5-10,12-13H,11H2,1-4H3,(H,24,26)
InChIKeyOMVUJNXFGHONLR-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65906
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CID 49856296
Azd-1386
CID 23633673
Histidyltryptophyldiketopiperazine
CID 24066854
N-(2-(n-isopropyl-N-methylamino)-1h-benzo[d]imidazol-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 9887476
5-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyrimidine-2-carboxamide
CID 10024175
3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11646514
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990
1,3-diethyl-5-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647078
3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 24971307

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide (CID 23633745) is N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide is CC(NC(=O)Cn1cnc2cccc(F)c21)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide?
The InChIKey is OMVUJNXFGHONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13(16-9-8-14(10-22-16)20(2,3)4)24-18(26)11-25-12-23-17-7-5-6-15(21)19(17)25/h5-10,12-13H,11H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide?
N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 23633745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).