2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide

C20H22N4O — CID 121232387

IUPAC2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)n3)cc2c1
InChIInChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
InChIKeyVXVYXKAPTSJLCT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.67
Rot. Bonds3

About 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide

2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide (PubChem CID 121232387) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide
PubChem CID121232387
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)n3)cc2c1
InChIInChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
InChIKeyVXVYXKAPTSJLCT-UHFFFAOYSA-N
XLogP3.67
TPSA98.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenyl)-1H-indole-5-carboximidamide
CID 1508
2-(2-hydroxybiphenyl-3-yl)-1H-indole-5-carboxamidine
CID 447476
2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-carboxamidine
CID 9949886
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
CID 23646620
2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine
CID 1507
6-Fluoro-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-carboxamidine
CID 9884570
2-(hydroxymethyl)-3-phenyl-1H-indole-5-carbonitrile
CID 24792662
2-(3-methyl-5-(trifluoromethyl)-1H-indol-2-yl)propan-2-ol
CID 24818822
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
CID 24820076
1-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol
CID 25058299
2-(2-hydroxy-3-propan-2-ylphenyl)-1H-indole-5-carboximidamide
CID 122194707
2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide
CID 122194709

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide?
The IUPAC name of 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide (CID 121232387) is 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide?
The canonical SMILES for 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3cccc(C4(O)CCCCC4)n3)cc2c1.
What is the InChIKey of 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide?
The InChIKey is VXVYXKAPTSJLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22).
What are the key properties of 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide?
2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide has a molecular weight of 334.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-hydroxycyclohexyl)-2-pyridinyl]-1H-indole-5-carboximidamide is sourced from PubChem (CID 121232387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).