N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

C26H28FN5O2 — CID 20749980

IUPACN-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1=NC2CCc3cc(F)ccc3C2C1
InChIInChI=1S/C26H28FN5O2/c27-17-6-7-19-16(13-17)5-8-21-20(19)14-24(28-21)30-25(33)15-31-11-9-18(10-12-31)32-23-4-2-1-3-22(23)29-26(32)34/h1-4,6-7,13,18,20-21H,5,8-12,14-15H2,(H,29,34)(H,28,30,33)
InChIKeyQONSEMXCIDQLRE-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.12
Rot. Bonds3

About N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 20749980) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID20749980
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC NameN-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1=NC2CCc3cc(F)ccc3C2C1
InChIInChI=1S/C26H28FN5O2/c27-17-6-7-19-16(13-17)5-8-21-20(19)14-24(28-21)30-25(33)15-31-11-9-18(10-12-31)32-23-4-2-1-3-22(23)29-26(32)34/h1-4,6-7,13,18,20-21H,5,8-12,14-15H2,(H,29,34)(H,28,30,33)
InChIKeyQONSEMXCIDQLRE-UHFFFAOYSA-N
XLogP3.12
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (CID 20749980) is N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1=NC2CCc3cc(F)ccc3C2C1.
What is the InChIKey of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is QONSEMXCIDQLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-17-6-7-19-16(13-17)5-8-21-20(19)14-24(28-21)30-25(33)15-31-11-9-18(10-12-31)32-23-4-2-1-3-22(23)29-26(32)34/h1-4,6-7,13,18,20-21H,5,8-12,14-15H2,(H,29,34)(H,28,30,33).
What are the key properties of N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 20749980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).