N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide

C31H33FN4O2 — CID 56645357

IUPACN-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1c(C)nc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C31H33FN4O2/c1-21-11-6-7-16-26(21)30(31(38)34-24-13-4-3-5-14-24)36(25-15-10-12-23(32)19-25)29(37)20-35-22(2)33-27-17-8-9-18-28(27)35/h6-12,15-19,24,30H,3-5,13-14,20H2,1-2H3,(H,34,38)
InChIKeyQGBXSUVTQOBSQO-UHFFFAOYSA-N
MW512.63 g/mol
LogP6.02
Rot. Bonds7

About N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (PubChem CID 56645357) has the molecular formula C31H33FN4O2 and a molecular weight of 512.63 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
PubChem CID56645357
Molecular FormulaC31H33FN4O2
Molecular Weight512.63 g/mol
Exact Mass512.26
IUPAC NameN-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1c(C)nc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C31H33FN4O2/c1-21-11-6-7-16-26(21)30(31(38)34-24-13-4-3-5-14-24)36(25-15-10-12-23(32)19-25)29(37)20-35-22(2)33-27-17-8-9-18-28(27)35/h6-12,15-19,24,30H,3-5,13-14,20H2,1-2H3,(H,34,38)
InChIKeyQGBXSUVTQOBSQO-UHFFFAOYSA-N
XLogP6.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide (CID 56645357) is N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1c(C)nc2ccccc21)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is QGBXSUVTQOBSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O2/c1-21-11-6-7-16-26(21)30(31(38)34-24-13-4-3-5-14-24)36(25-15-10-12-23(32)19-25)29(37)20-35-22(2)33-27-17-8-9-18-28(27)35/h6-12,15-19,24,30H,3-5,13-14,20H2,1-2H3,(H,34,38).
What are the key properties of N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 512.63 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylbenzimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56645357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).