1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole

C14H21N3 — CID 66154434

IUPAC1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole
SMILESCc1cn(Cc2cncn2C(C)C)c(C)c1C
InChIInChI=1S/C14H21N3/c1-10(2)17-9-15-6-14(17)8-16-7-11(3)12(4)13(16)5/h6-7,9-10H,8H2,1-5H3
InChIKeyCVJUKKXGSXJPMX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds3

About 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole

1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole (PubChem CID 66154434) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole
PubChem CID66154434
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole
SMILESCc1cn(Cc2cncn2C(C)C)c(C)c1C
InChIInChI=1S/C14H21N3/c1-10(2)17-9-15-6-14(17)8-16-7-11(3)12(4)13(16)5/h6-7,9-10H,8H2,1-5H3
InChIKeyCVJUKKXGSXJPMX-UHFFFAOYSA-N
XLogP3.24
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyridin-2-one
CID 116622620
1-propan-2-yl-5-propylimidazole
CID 139308338
2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 84763142
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396
3,5-dimethyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82912439
4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine
CID 66164781
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641969
1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66130679
[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912836
2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79108001

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole?
The IUPAC name of 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole (CID 66154434) is 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole?
The canonical SMILES for 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole is Cc1cn(Cc2cncn2C(C)C)c(C)c1C.
What is the InChIKey of 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole?
The InChIKey is CVJUKKXGSXJPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)17-9-15-6-14(17)8-16-7-11(3)12(4)13(16)5/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole?
1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole has a molecular weight of 231.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazole is sourced from PubChem (CID 66154434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).