2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole

C17H18N2 — CID 962439

IUPAC2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
SMILESCCc1nc2ccccc2n1[C@H](C)c1ccccc1
InChIInChI=1S/C17H18N2/c1-3-17-18-15-11-7-8-12-16(15)19(17)13(2)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/t13-/m1/s1
InChIKeyJQYSIVYHHVUZTP-CYBMUJFWSA-N
MW250.35 g/mol
LogP4.21
Rot. Bonds3

About 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole

2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole (PubChem CID 962439) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
PubChem CID962439
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
SMILESCCc1nc2ccccc2n1[C@H](C)c1ccccc1
InChIInChI=1S/C17H18N2/c1-3-17-18-15-11-7-8-12-16(15)19(17)13(2)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/t13-/m1/s1
InChIKeyJQYSIVYHHVUZTP-CYBMUJFWSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362
1-but-3-en-2-yl-2-ethylbenzimidazole
CID 116622499
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
CID 18878245
(1R)-1-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]propan-1-ol
CID 40692444
N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole (CID 962439) is 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole is CCc1nc2ccccc2n1[C@H](C)c1ccccc1.
What is the InChIKey of 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole?
The InChIKey is JQYSIVYHHVUZTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-17-18-15-11-7-8-12-16(15)19(17)13(2)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole?
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole has a molecular weight of 250.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole is sourced from PubChem (CID 962439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).