4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide

C30H22FN7O — CID 58338254

IUPAC4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCc1ccn[nH]1
InChIInChI=1S/C30H22FN7O/c31-17-8-11-23-25(14-17)36-30(35-23)22-5-3-7-27-28(22)21-4-1-2-6-26(21)38(27)19-9-10-20(29(32)39)24(15-19)33-16-18-12-13-34-37-18/h1-15,33H,16H2,(H2,32,39)(H,34,37)(H,35,36)
InChIKeyOYVDLSARKDQIJL-UHFFFAOYSA-N
MW515.55 g/mol
LogP5.90
Rot. Bonds6

About 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide

4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide (PubChem CID 58338254) has the molecular formula C30H22FN7O and a molecular weight of 515.55 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide
PubChem CID58338254
Molecular FormulaC30H22FN7O
Molecular Weight515.55 g/mol
Exact Mass515.19
IUPAC Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCc1ccn[nH]1
InChIInChI=1S/C30H22FN7O/c31-17-8-11-23-25(14-17)36-30(35-23)22-5-3-7-27-28(22)21-4-1-2-6-26(21)38(27)19-9-10-20(29(32)39)24(15-19)33-16-18-12-13-34-37-18/h1-15,33H,16H2,(H2,32,39)(H,34,37)(H,35,36)
InChIKeyOYVDLSARKDQIJL-UHFFFAOYSA-N
XLogP5.90
TPSA117.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 55.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide?
The IUPAC name of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide (CID 58338254) is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide.
What is the SMILES notation for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide?
The canonical SMILES for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide is NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCc1ccn[nH]1.
What is the InChIKey of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide?
The InChIKey is OYVDLSARKDQIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN7O/c31-17-8-11-23-25(14-17)36-30(35-23)22-5-3-7-27-28(22)21-4-1-2-6-26(21)38(27)19-9-10-20(29(32)39)24(15-19)33-16-18-12-13-34-37-18/h1-15,33H,16H2,(H2,32,39)(H,34,37)(H,35,36).
What are the key properties of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide?
4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide has a molecular weight of 515.55 g/mol, XLogP of 5.90, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide is sourced from PubChem (CID 58338254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).