1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole

C26H37N3 — CID 158714927

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(C(C)(C)C(C)(C)C)nc1-c1ccc[nH]1
InChIInChI=1S/C26H37N3/c1-17(2)19-12-10-13-20(18(3)4)23(19)29-16-22(26(8,9)25(5,6)7)28-24(29)21-14-11-15-27-21/h10-18,27H,1-9H3
InChIKeyFORWZEJYGSNOJC-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.44
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole

1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole (PubChem CID 158714927) has the molecular formula C26H37N3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole
PubChem CID158714927
Molecular FormulaC26H37N3
Molecular Weight391.60 g/mol
Exact Mass391.30
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(C(C)(C)C(C)(C)C)nc1-c1ccc[nH]1
InChIInChI=1S/C26H37N3/c1-17(2)19-12-10-13-20(18(3)4)23(19)29-16-22(26(8,9)25(5,6)7)28-24(29)21-14-11-15-27-21/h10-18,27H,1-9H3
InChIKeyFORWZEJYGSNOJC-UHFFFAOYSA-N
XLogP7.44
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-[3-[1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)imidazol-4-yl]-2,3-dimethylbutan-2-yl]-12,12,13,13-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
CID 158714928
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]palladium;hydrate
CID 141164951
methane;3-propan-2-yl-1H-pyridin-2-one
CID 159076813
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]cobalt
CID 155661815
N-[[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]amino]-chloroboranyl]-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-imine
CID 132517111
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136631027
2-methyl-8-[2-[2-phenyl-1-[1-phenyl-3,5-di(propan-2-yl)pyridin-1-ium-4-yl]imidazol-4-yl]propan-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 140760469
1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
CID 159190073
1-[2,6-di(propan-2-yl)phenyl]-2-[5-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]pyrrol-1-id-2-yl]imidazole;platinum(2+)
CID 162466983
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
3,5-ditert-butyl-1-[2,6-di(propan-2-yl)phenyl]-1,2,4-azadiphosphole
CID 102253223
2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
CID 170388279

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole (CID 158714927) is 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole is CC(C)c1cccc(C(C)C)c1-n1cc(C(C)(C)C(C)(C)C)nc1-c1ccc[nH]1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole?
The InChIKey is FORWZEJYGSNOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3/c1-17(2)19-12-10-13-20(18(3)4)23(19)29-16-22(26(8,9)25(5,6)7)28-24(29)21-14-11-15-27-21/h10-18,27H,1-9H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole has a molecular weight of 391.60 g/mol, XLogP of 7.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-(1H-pyrrol-2-yl)-4-(2,3,3-trimethylbutan-2-yl)imidazole is sourced from PubChem (CID 158714927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).