2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole

C18H20N2O — CID 5016671

IUPAC2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C18H20N2O/c1-13(2)20-17-7-5-4-6-16(17)19-18(20)12-14-8-10-15(21-3)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyXOOHHXYYDUNWGX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.22
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole

2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole (PubChem CID 5016671) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
PubChem CID5016671
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C18H20N2O/c1-13(2)20-17-7-5-4-6-16(17)19-18(20)12-14-8-10-15(21-3)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyXOOHHXYYDUNWGX-UHFFFAOYSA-N
XLogP4.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 3344843
3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 65346686
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanethioamide
CID 39151397
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
4-(4-methoxyphenyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 91822927

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole (CID 5016671) is 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole is COc1ccc(Cc2nc3ccccc3n2C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole?
The InChIKey is XOOHHXYYDUNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)20-17-7-5-4-6-16(17)19-18(20)12-14-8-10-15(21-3)11-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole?
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 5016671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).