5-methyl-1-phenyl-2-propan-2-ylbenzimidazole

C17H18N2 — CID 70987216

IUPAC5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)C)n2-c1ccccc1
InChIInChI=1S/C17H18N2/c1-12(2)17-18-15-11-13(3)9-10-16(15)19(17)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyNBYZQYGZTQSPRU-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.46
Rot. Bonds2

About 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole

5-methyl-1-phenyl-2-propan-2-ylbenzimidazole (PubChem CID 70987216) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
PubChem CID70987216
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)C)n2-c1ccccc1
InChIInChI=1S/C17H18N2/c1-12(2)17-18-15-11-13(3)9-10-16(15)19(17)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyNBYZQYGZTQSPRU-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole?
The IUPAC name of 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole (CID 70987216) is 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole?
The canonical SMILES for 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole is Cc1ccc2c(c1)nc(C(C)C)n2-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole?
The InChIKey is NBYZQYGZTQSPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12(2)17-18-15-11-13(3)9-10-16(15)19(17)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole?
5-methyl-1-phenyl-2-propan-2-ylbenzimidazole has a molecular weight of 250.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 70987216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).