4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole

C16H16N2O — CID 27408412

IUPAC4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole
SMILESCc1cccc2[nH]c([C@@H](C)Oc3ccccc3)nc12
InChIInChI=1S/C16H16N2O/c1-11-7-6-10-14-15(11)18-16(17-14)12(2)19-13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyKCHGUHRABVXTKC-GFCCVEGCSA-N
MW252.32 g/mol
LogP4.01
Rot. Bonds3

About 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole

4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole (PubChem CID 27408412) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole
PubChem CID27408412
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole
SMILESCc1cccc2[nH]c([C@@H](C)Oc3ccccc3)nc12
InChIInChI=1S/C16H16N2O/c1-11-7-6-10-14-15(11)18-16(17-14)12(2)19-13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyKCHGUHRABVXTKC-GFCCVEGCSA-N
XLogP4.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole 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

2-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-benzimidazole
CID 64724117
(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 83857640
2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
CID 83857763
2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole
CID 50754089
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
CID 151651960
2-[chloro-(2-chlorophenoxy)methyl]-4-methyl-1H-benzimidazole
CID 54322285
ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
CID 123493983
2-[1-(3-chlorophenoxy)ethyl]-1H-benzimidazole
CID 55052996
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
CID 69478417
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole?
The IUPAC name of 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole (CID 27408412) is 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole is Cc1cccc2[nH]c([C@@H](C)Oc3ccccc3)nc12.
What is the InChIKey of 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole?
The InChIKey is KCHGUHRABVXTKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-6-10-14-15(11)18-16(17-14)12(2)19-13-8-4-3-5-9-13/h3-10,12H,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole?
4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1R)-1-phenoxyethyl]-1H-benzimidazole is sourced from PubChem (CID 27408412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).