2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole

C23H41N11 — CID 159038378

IUPAC2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole
SMILESCC(C)c1cnc[nH]1.CC(C)c1cnn(C)n1.CC(C)c1nn[nH]n1.Cc1ncc(C(C)C)[nH]1
InChIInChI=1S/C7H12N2.C6H11N3.C6H10N2.C4H8N4/c1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-7-9(3)8-6;1-5(2)6-3-7-4-8-6;1-3(2)4-5-7-8-6-4/h4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyJVSVASIBZDQZJL-UHFFFAOYSA-N
MW471.66 g/mol
LogP4.64
Rot. Bonds4

About 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole

2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole (PubChem CID 159038378) has the molecular formula C23H41N11 and a molecular weight of 471.66 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole
PubChem CID159038378
Molecular FormulaC23H41N11
Molecular Weight471.66 g/mol
Exact Mass471.35
IUPAC Name2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole
SMILESCC(C)c1cnc[nH]1.CC(C)c1cnn(C)n1.CC(C)c1nn[nH]n1.Cc1ncc(C(C)C)[nH]1
InChIInChI=1S/C7H12N2.C6H11N3.C6H10N2.C4H8N4/c1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-7-9(3)8-6;1-5(2)6-3-7-4-8-6;1-3(2)4-5-7-8-6-4/h4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyJVSVASIBZDQZJL-UHFFFAOYSA-N
XLogP4.64
TPSA142.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.66
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole?
The IUPAC name of 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole (CID 159038378) is 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole?
The canonical SMILES for 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole is CC(C)c1cnc[nH]1.CC(C)c1cnn(C)n1.CC(C)c1nn[nH]n1.Cc1ncc(C(C)C)[nH]1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole?
The InChIKey is JVSVASIBZDQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H11N3.C6H10N2.C4H8N4/c1-5(2)7-4-8-6(3)9-7;1-5(2)6-4-7-9(3)8-6;1-5(2)6-3-7-4-8-6;1-3(2)4-5-7-8-6-4/h4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3,(H,7,8);3H,1-2H3,(H,5,6,7,8).
What are the key properties of 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole?
2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole has a molecular weight of 471.66 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole is sourced from PubChem (CID 159038378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).