2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide

C29H24FN5O3 — CID 58338335

IUPAC2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide
SMILESNCC(CO)Oc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O
InChIInChI=1S/C29H24FN5O3/c30-16-8-11-22-23(12-16)34-29(33-22)21-5-3-7-25-27(21)19-4-1-2-6-24(19)35(25)17-9-10-20(28(32)37)26(13-17)38-18(14-31)15-36/h1-13,18,36H,14-15,31H2,(H2,32,37)(H,33,34)
InChIKeyNAGQYAMXPBGSAE-UHFFFAOYSA-N
MW509.54 g/mol
LogP4.26
Rot. Bonds7

About 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide

2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide (PubChem CID 58338335) has the molecular formula C29H24FN5O3 and a molecular weight of 509.54 g/mol. Its IUPAC name is 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide.

Molecular Properties

Compound Name2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide
PubChem CID58338335
Molecular FormulaC29H24FN5O3
Molecular Weight509.54 g/mol
Exact Mass509.19
IUPAC Name2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide
SMILESNCC(CO)Oc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O
InChIInChI=1S/C29H24FN5O3/c30-16-8-11-22-23(12-16)34-29(33-22)21-5-3-7-25-27(21)19-4-1-2-6-24(19)35(25)17-9-10-20(28(32)37)26(13-17)38-18(14-31)15-36/h1-13,18,36H,14-15,31H2,(H2,32,37)(H,33,34)
InChIKeyNAGQYAMXPBGSAE-UHFFFAOYSA-N
XLogP4.26
TPSA132.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44414065
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CID 18537780
CID 18537780
CID 18537793
CID 18537793
CID 18537835
CID 18537835
CID 18537875
CID 18537875
CID 18537877
CID 18537877
CID 18537935
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CID 18537954
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CID 18537965

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide?
The IUPAC name of 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide (CID 58338335) is 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide.
What is the SMILES notation for 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide?
The canonical SMILES for 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide is NCC(CO)Oc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O.
What is the InChIKey of 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide?
The InChIKey is NAGQYAMXPBGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O3/c30-16-8-11-22-23(12-16)34-29(33-22)21-5-3-7-25-27(21)19-4-1-2-6-24(19)35(25)17-9-10-20(28(32)37)26(13-17)38-18(14-31)15-36/h1-13,18,36H,14-15,31H2,(H2,32,37)(H,33,34).
What are the key properties of 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide?
2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide has a molecular weight of 509.54 g/mol, XLogP of 4.26, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-hydroxypropan-2-yl)oxy-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide is sourced from PubChem (CID 58338335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).