ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]

C34H38FN3 — CID 143159407

IUPACethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
SMILESCC.CC1CN(C2CCC(c3ccccc3-c3nc4ccc(F)cc4[nH]3)C2)CCC12C=Cc1ccccc12
InChIInChI=1S/C32H32FN3.C2H6/c1-21-20-36(17-16-32(21)15-14-22-6-2-5-9-28(22)32)25-12-10-23(18-25)26-7-3-4-8-27(26)31-34-29-13-11-24(33)19-30(29)35-31;1-2/h2-9,11,13-15,19,21,23,25H,10,12,16-18,20H2,1H3,(H,34,35);1-2H3
InChIKeyKTAABMMIWIGCGY-UHFFFAOYSA-N
MW507.70 g/mol
LogP8.34
Rot. Bonds3

About ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]

ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] (PubChem CID 143159407) has the molecular formula C34H38FN3 and a molecular weight of 507.70 g/mol. Its IUPAC name is ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine].

Molecular Properties

Compound Nameethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
PubChem CID143159407
Molecular FormulaC34H38FN3
Molecular Weight507.70 g/mol
Exact Mass507.30
IUPAC Nameethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]
SMILESCC.CC1CN(C2CCC(c3ccccc3-c3nc4ccc(F)cc4[nH]3)C2)CCC12C=Cc1ccccc12
InChIInChI=1S/C32H32FN3.C2H6/c1-21-20-36(17-16-32(21)15-14-22-6-2-5-9-28(22)32)25-12-10-23(18-25)26-7-3-4-8-27(26)31-34-29-13-11-24(33)19-30(29)35-31;1-2/h2-9,11,13-15,19,21,23,25H,10,12,16-18,20H2,1H3,(H,34,35);1-2H3
InChIKeyKTAABMMIWIGCGY-UHFFFAOYSA-N
XLogP8.34
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.70
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] 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 ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
The IUPAC name of ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] (CID 143159407) is ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine].
What is the SMILES notation for ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
The canonical SMILES for ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] is CC.CC1CN(C2CCC(c3ccccc3-c3nc4ccc(F)cc4[nH]3)C2)CCC12C=Cc1ccccc12.
What is the InChIKey of ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
The InChIKey is KTAABMMIWIGCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN3.C2H6/c1-21-20-36(17-16-32(21)15-14-22-6-2-5-9-28(22)32)25-12-10-23(18-25)26-7-3-4-8-27(26)31-34-29-13-11-24(33)19-30(29)35-31;1-2/h2-9,11,13-15,19,21,23,25H,10,12,16-18,20H2,1H3,(H,34,35);1-2H3.
What are the key properties of ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine]?
ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] has a molecular weight of 507.70 g/mol, XLogP of 8.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclopentyl]-3'-methylspiro[indene-1,4'-piperidine] is sourced from PubChem (CID 143159407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).