1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide

C23H30N4O2 — CID 112767949

IUPAC1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCCCn1ccnc1)c(C)n2C1CCCCC1
InChIInChI=1S/C23H30N4O2/c1-17-22(23(28)25-11-6-13-26-14-12-24-16-26)20-15-19(29-2)9-10-21(20)27(17)18-7-4-3-5-8-18/h9-10,12,14-16,18H,3-8,11,13H2,1-2H3,(H,25,28)
InChIKeyFCACXYFZQSGAMS-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.48
Rot. Bonds7

About 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide

1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide (PubChem CID 112767949) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
PubChem CID112767949
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NCCCn1ccnc1)c(C)n2C1CCCCC1
InChIInChI=1S/C23H30N4O2/c1-17-22(23(28)25-11-6-13-26-14-12-24-16-26)20-15-19(29-2)9-10-21(20)27(17)18-7-4-3-5-8-18/h9-10,12,14-16,18H,3-8,11,13H2,1-2H3,(H,25,28)
InChIKeyFCACXYFZQSGAMS-UHFFFAOYSA-N
XLogP4.48
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 112795503
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CID 112819708
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
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1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
CID 112772126
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
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CID 112771381
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
CID 112842247
N-(3-imidazol-1-ylpropyl)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888426
1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide (CID 112767949) is 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCCCn1ccnc1)c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide?
The InChIKey is FCACXYFZQSGAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-22(23(28)25-11-6-13-26-14-12-24-16-26)20-15-19(29-2)9-10-21(20)27(17)18-7-4-3-5-8-18/h9-10,12,14-16,18H,3-8,11,13H2,1-2H3,(H,25,28).
What are the key properties of 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide?
1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 112767949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).