N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C26H31FN4O — CID 175290125

IUPACN,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccc(F)cc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H31FN4O/c27-19-14-15-22-24(17-19)30(26(29-22)23-13-7-8-16-28-23)18-25(32)31(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-17,20-21H,1-6,9-12,18H2
InChIKeyNGARLDYQBSWZKJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.73
Rot. Bonds5

About N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide

N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 175290125) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID175290125
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC NameN,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccc(F)cc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H31FN4O/c27-19-14-15-22-24(17-19)30(26(29-22)23-13-7-8-16-28-23)18-25(32)31(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-17,20-21H,1-6,9-12,18H2
InChIKeyNGARLDYQBSWZKJ-UHFFFAOYSA-N
XLogP5.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 175290125) is N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccn2)nc2ccc(F)cc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is NGARLDYQBSWZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c27-19-14-15-22-24(17-19)30(26(29-22)23-13-7-8-16-28-23)18-25(32)31(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h7-8,13-17,20-21H,1-6,9-12,18H2.
What are the key properties of N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 434.56 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(6-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 175290125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).