1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide

C17H20N4O2 — CID 18184585

IUPAC1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide
SMILESCc1cn(CCCC(O)n2cnc(C(N)=O)c2)c2ccccc12
InChIInChI=1S/C17H20N4O2/c1-12-9-20(15-6-3-2-5-13(12)15)8-4-7-16(22)21-10-14(17(18)23)19-11-21/h2-3,5-6,9-11,16,22H,4,7-8H2,1H3,(H2,18,23)
InChIKeyWAWFXCFVTJBUFM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.22
Rot. Bonds6

About 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide

1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide (PubChem CID 18184585) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide
PubChem CID18184585
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide
SMILESCc1cn(CCCC(O)n2cnc(C(N)=O)c2)c2ccccc12
InChIInChI=1S/C17H20N4O2/c1-12-9-20(15-6-3-2-5-13(12)15)8-4-7-16(22)21-10-14(17(18)23)19-11-21/h2-3,5-6,9-11,16,22H,4,7-8H2,1H3,(H2,18,23)
InChIKeyWAWFXCFVTJBUFM-UHFFFAOYSA-N
XLogP2.22
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(4-methylsulfonylbutyl)indole
CID 143998843
N-(diaminomethylidene)-1-(1-hydroxy-4-phenylbutyl)imidazole-4-carboxamide
CID 22628535
[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 97301455
1-[4-hydroxy-4-(2-methyl-1H-indol-3-yl)butan-2-yl]imidazole-4-carboxamide
CID 70205646
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
(3-methylindol-1-yl)methanol
CID 54090827
2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
CID 62565422
[1-(4-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 91736656
(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine
CID 59622325
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate
CID 71881223
2-acetamido-3-(3-methylindol-1-yl)propanoic acid
CID 64581102

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide?
The IUPAC name of 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide (CID 18184585) is 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide is Cc1cn(CCCC(O)n2cnc(C(N)=O)c2)c2ccccc12.
What is the InChIKey of 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide?
The InChIKey is WAWFXCFVTJBUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-9-20(15-6-3-2-5-13(12)15)8-4-7-16(22)21-10-14(17(18)23)19-11-21/h2-3,5-6,9-11,16,22H,4,7-8H2,1H3,(H2,18,23).
What are the key properties of 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide?
1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-4-(3-methylindol-1-yl)butyl]imidazole-4-carboxamide is sourced from PubChem (CID 18184585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).