formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol

C31H42N4O5 — CID 142545552

IUPACformaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol
SMILESC=O.CNC(C)CCc1c(O)ccc2c1nc(C(O)c1ccc3c(ccn3C)c1)n2C1CCCC(C)C1.O=CO
InChIInChI=1S/C29H38N4O2.CH2O2.CH2O/c1-18-6-5-7-22(16-18)33-25-12-13-26(34)23(10-8-19(2)30-3)27(25)31-29(33)28(35)21-9-11-24-20(17-21)14-15-32(24)4;2-1-3;1-2/h9,11-15,17-19,22,28,30,34-35H,5-8,10,16H2,1-4H3;1H,(H,2,3);1H2
InChIKeyXYALXJNDHDDIIU-UHFFFAOYSA-N
MW550.70 g/mol
LogP5.12
Rot. Bonds7

About formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol

formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol (PubChem CID 142545552) has the molecular formula C31H42N4O5 and a molecular weight of 550.70 g/mol. Its IUPAC name is formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol.

Molecular Properties

Compound Nameformaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol
PubChem CID142545552
Molecular FormulaC31H42N4O5
Molecular Weight550.70 g/mol
Exact Mass550.32
IUPAC Nameformaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol
SMILESC=O.CNC(C)CCc1c(O)ccc2c1nc(C(O)c1ccc3c(ccn3C)c1)n2C1CCCC(C)C1.O=CO
InChIInChI=1S/C29H38N4O2.CH2O2.CH2O/c1-18-6-5-7-22(16-18)33-25-12-13-26(34)23(10-8-19(2)30-3)27(25)31-29(33)28(35)21-9-11-24-20(17-21)14-15-32(24)4;2-1-3;1-2/h9,11-15,17-19,22,28,30,34-35H,5-8,10,16H2,1-4H3;1H,(H,2,3);1H2
InChIKeyXYALXJNDHDDIIU-UHFFFAOYSA-N
XLogP5.12
TPSA129.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol 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 formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol?
The IUPAC name of formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol (CID 142545552) is formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol.
What is the SMILES notation for formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol?
The canonical SMILES for formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol is C=O.CNC(C)CCc1c(O)ccc2c1nc(C(O)c1ccc3c(ccn3C)c1)n2C1CCCC(C)C1.O=CO.
What is the InChIKey of formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol?
The InChIKey is XYALXJNDHDDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2.CH2O2.CH2O/c1-18-6-5-7-22(16-18)33-25-12-13-26(34)23(10-8-19(2)30-3)27(25)31-29(33)28(35)21-9-11-24-20(17-21)14-15-32(24)4;2-1-3;1-2/h9,11-15,17-19,22,28,30,34-35H,5-8,10,16H2,1-4H3;1H,(H,2,3);1H2.
What are the key properties of formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol?
formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol has a molecular weight of 550.70 g/mol, XLogP of 5.12, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;formic acid;2-[hydroxy-(1-methylindol-5-yl)methyl]-4-[3-(methylamino)butyl]-1-(3-methylcyclohexyl)benzimidazol-5-ol is sourced from PubChem (CID 142545552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).