2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide

C28H26FN5O — CID 123990300

IUPAC2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2ccc3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NC1CCCCC1
InChIInChI=1S/C28H26FN5O/c29-17-9-12-23-25(15-17)33-28(32-23)21-7-4-8-26-20(21)13-14-34(26)19-10-11-22(27(30)35)24(16-19)31-18-5-2-1-3-6-18/h4,7-16,18,31H,1-3,5-6H2,(H2,30,35)(H,32,33)
InChIKeyUBVJCOJVLHMKCL-UHFFFAOYSA-N
MW467.55 g/mol
LogP6.16
Rot. Bonds5

About 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide

2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide (PubChem CID 123990300) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
PubChem CID123990300
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Name2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2ccc3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NC1CCCCC1
InChIInChI=1S/C28H26FN5O/c29-17-9-12-23-25(15-17)33-28(32-23)21-7-4-8-26-20(21)13-14-34(26)19-10-11-22(27(30)35)24(16-19)31-18-5-2-1-3-6-18/h4,7-16,18,31H,1-3,5-6H2,(H2,30,35)(H,32,33)
InChIKeyUBVJCOJVLHMKCL-UHFFFAOYSA-N
XLogP6.16
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide?
The IUPAC name of 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide (CID 123990300) is 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide?
The canonical SMILES for 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide is NC(=O)c1ccc(-n2ccc3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide?
The InChIKey is UBVJCOJVLHMKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c29-17-9-12-23-25(15-17)33-28(32-23)21-7-4-8-26-20(21)13-14-34(26)19-10-11-22(27(30)35)24(16-19)31-18-5-2-1-3-6-18/h4,7-16,18,31H,1-3,5-6H2,(H2,30,35)(H,32,33).
What are the key properties of 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide?
2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 6.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide is sourced from PubChem (CID 123990300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).