4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide

C32H28FN5O2 — CID 58338322

IUPAC4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1N[C@H]1CCC[C@H]1CO
InChIInChI=1S/C32H28FN5O2/c33-19-11-14-25-27(15-19)37-32(36-25)23-7-4-10-29-30(23)22-6-1-2-9-28(22)38(29)20-12-13-21(31(34)40)26(16-20)35-24-8-3-5-18(24)17-39/h1-2,4,6-7,9-16,18,24,35,39H,3,5,8,17H2,(H2,34,40)(H,36,37)/t18-,24-/m0/s1
InChIKeyIXEVTZARXPGNLX-UUOWRZLLSA-N
MW533.61 g/mol
LogP6.14
Rot. Bonds6

About 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide

4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide (PubChem CID 58338322) has the molecular formula C32H28FN5O2 and a molecular weight of 533.61 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide
PubChem CID58338322
Molecular FormulaC32H28FN5O2
Molecular Weight533.61 g/mol
Exact Mass533.22
IUPAC Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1N[C@H]1CCC[C@H]1CO
InChIInChI=1S/C32H28FN5O2/c33-19-11-14-25-27(15-19)37-32(36-25)23-7-4-10-29-30(23)22-6-1-2-9-28(22)38(29)20-12-13-21(31(34)40)26(16-20)35-24-8-3-5-18(24)17-39/h1-2,4,6-7,9-16,18,24,35,39H,3,5,8,17H2,(H2,34,40)(H,36,37)/t18-,24-/m0/s1
InChIKeyIXEVTZARXPGNLX-UUOWRZLLSA-N
XLogP6.14
TPSA108.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.61
LogP ≤ 56.14
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-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide?
The IUPAC name of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide (CID 58338322) is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide.
What is the SMILES notation for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide?
The canonical SMILES for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide is NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1N[C@H]1CCC[C@H]1CO.
What is the InChIKey of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide?
The InChIKey is IXEVTZARXPGNLX-UUOWRZLLSA-N. The full InChI is InChI=1S/C32H28FN5O2/c33-19-11-14-25-27(15-19)37-32(36-25)23-7-4-10-29-30(23)22-6-1-2-9-28(22)38(29)20-12-13-21(31(34)40)26(16-20)35-24-8-3-5-18(24)17-39/h1-2,4,6-7,9-16,18,24,35,39H,3,5,8,17H2,(H2,34,40)(H,36,37)/t18-,24-/m0/s1.
What are the key properties of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide?
4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide has a molecular weight of 533.61 g/mol, XLogP of 6.14, 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-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide is sourced from PubChem (CID 58338322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).