1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide

C26H29ClN4O3 — CID 85154550

IUPAC1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide
SMILESCn1cc(CCC(CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H29ClN4O3/c1-30-14-19(6-9-21(16-32)31-15-24(26(28)33)29-17-31)23-13-22(10-11-25(23)30)34-12-2-3-18-4-7-20(27)8-5-18/h4-5,7-8,10-11,13-15,17,21,32H,2-3,6,9,12,16H2,1H3,(H2,28,33)
InChIKeyLOLFJCSELDRAPA-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.30
Rot. Bonds11

About 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide

1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide (PubChem CID 85154550) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide
PubChem CID85154550
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC Name1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide
SMILESCn1cc(CCC(CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C26H29ClN4O3/c1-30-14-19(6-9-21(16-32)31-15-24(26(28)33)29-17-31)23-13-22(10-11-25(23)30)34-12-2-3-18-4-7-20(27)8-5-18/h4-5,7-8,10-11,13-15,17,21,32H,2-3,6,9,12,16H2,1H3,(H2,28,33)
InChIKeyLOLFJCSELDRAPA-UHFFFAOYSA-N
XLogP4.30
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-1-hydroxy-4-[1-methyl-5-(3-phenylpropoxy)-1H-indol-3-yl]butan-2-yl]-1H-imidazole-4-carboxamide
CID 9824827
1-[(2R)-4-{5-[3-(4-chlorophenyl)propoxy]-1-methyl-1H-indol-3-yl}-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 10480325
1-[(2R)-1-hydroxy-4-[6-(4-phenylbutoxy)-1H-indol-1-yl]butan-2-yl]-1H-imidazole-4-carboxamide
CID 11155059
1-[(2R)-4-[5-(hexyloxy)-1-methyl-1H-indol-3-yl]-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11235305
1-[(2R)-1-hydroxy-4-[6-(3-phenylpropoxy)-1H-indol-1-yl]butan-2-yl]-1H-imidazole-4-carboxamide
CID 11373857
1-[(2R)-4-(6-butoxy-1H-indol-1-yl)-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11394608
1-[(2R)-4-[6-(hexyloxy)-1H-indol-1-yl]-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11406877
1-[(2R)-4-{6-[3-(4-chlorophenyl)propoxy]-1H-indol-1-yl}-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11454124
1-[(2R)-4-[5-(hexyloxy)-1H-indol-1-yl]-1-hydroxybutan-2-yl]-1H-imidazole-4-carboxamide
CID 11188723
1-[(2R)-1-hydroxy-4-[5-(3-phenylpropoxy)-1H-indol-1-yl]butan-2-yl]-1H-imidazole-4-carboxamide
CID 11350966
1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-4-yl]-ethyl}-2-hydroxy-propyl)-1H-imidazole-4-carboxylic acid amide
CID 10173385
1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-7-yl]-ethyl}-2-hydroxy-propyl)-1H-imidazole-4-carboxylic acid amide
CID 10238071

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide (CID 85154550) is 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide is Cn1cc(CCC(CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The InChIKey is LOLFJCSELDRAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-30-14-19(6-9-21(16-32)31-15-24(26(28)33)29-17-31)23-13-22(10-11-25(23)30)34-12-2-3-18-4-7-20(27)8-5-18/h4-5,7-8,10-11,13-15,17,21,32H,2-3,6,9,12,16H2,1H3,(H2,28,33).
What are the key properties of 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[3-(4-chlorophenyl)propoxy]-1-methylindol-3-yl]-1-hydroxybutan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 85154550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).