N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide

C26H28FN5O3 — CID 66554593

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc2c(c1)n(CC1CCC(C(=O)Nc3cc(-c4ccc(F)cc4)[nH]n3)CC1)c(=O)n2C
InChIInChI=1S/C26H28FN5O3/c1-31-22-12-11-20(35-2)13-23(22)32(26(31)34)15-16-3-5-18(6-4-16)25(33)28-24-14-21(29-30-24)17-7-9-19(27)10-8-17/h7-14,16,18H,3-6,15H2,1-2H3,(H2,28,29,30,33)
InChIKeyNSJNRCPTVIDLEN-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.32
Rot. Bonds6

About N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 66554593) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
PubChem CID66554593
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc2c(c1)n(CC1CCC(C(=O)Nc3cc(-c4ccc(F)cc4)[nH]n3)CC1)c(=O)n2C
InChIInChI=1S/C26H28FN5O3/c1-31-22-12-11-20(35-2)13-23(22)32(26(31)34)15-16-3-5-18(6-4-16)25(33)28-24-14-21(29-30-24)17-7-9-19(27)10-8-17/h7-14,16,18H,3-6,15H2,1-2H3,(H2,28,29,30,33)
InChIKeyNSJNRCPTVIDLEN-UHFFFAOYSA-N
XLogP4.32
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide (CID 66554593) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide is COc1ccc2c(c1)n(CC1CCC(C(=O)Nc3cc(-c4ccc(F)cc4)[nH]n3)CC1)c(=O)n2C.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NSJNRCPTVIDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-31-22-12-11-20(35-2)13-23(22)32(26(31)34)15-16-3-5-18(6-4-16)25(33)28-24-14-21(29-30-24)17-7-9-19(27)10-8-17/h7-14,16,18H,3-6,15H2,1-2H3,(H2,28,29,30,33).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 66554593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).