1-(1-phenylethyl)-2-propan-2-ylbenzimidazole

C18H20N2 — CID 3623918

IUPAC1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C18H20N2/c1-13(2)18-19-16-11-7-8-12-17(16)20(18)14(3)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyNIYVKKDNIHTOBC-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.77
Rot. Bonds3

About 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole

1-(1-phenylethyl)-2-propan-2-ylbenzimidazole (PubChem CID 3623918) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
PubChem CID3623918
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccccc2n1C(C)c1ccccc1
InChIInChI=1S/C18H20N2/c1-13(2)18-19-16-11-7-8-12-17(16)20(18)14(3)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyNIYVKKDNIHTOBC-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
CID 40692444
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
2-[1-(4-chlorophenoxy)ethyl]-1-(1-phenylethyl)benzimidazole
CID 16998925
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
2-(4-chlorophenyl)-N-[1-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973009
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole (CID 3623918) is 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole is CC(C)c1nc2ccccc2n1C(C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole?
The InChIKey is NIYVKKDNIHTOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13(2)18-19-16-11-7-8-12-17(16)20(18)14(3)15-9-5-4-6-10-15/h4-14H,1-3H3.
What are the key properties of 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole?
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 3623918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).