1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole

C14H16N4 — CID 79760580

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
SMILESCCn1ccnc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C14H16N4/c1-3-17-9-8-15-14(17)10-18-11(2)16-12-6-4-5-7-13(12)18/h4-9H,3,10H2,1-2H3
InChIKeyXTRAJBPTOKWFQL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole

1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole (PubChem CID 79760580) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
PubChem CID79760580
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
SMILESCCn1ccnc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C14H16N4/c1-3-17-9-8-15-14(17)10-18-11(2)16-12-6-4-5-7-13(12)18/h4-9H,3,10H2,1-2H3
InChIKeyXTRAJBPTOKWFQL-UHFFFAOYSA-N
XLogP2.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754
1-[(1-ethylimidazol-2-yl)methyl]indole
CID 63811583
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
CID 70931583
(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699872
1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
CID 62470224
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole (CID 79760580) is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole is CCn1ccnc1Cn1c(C)nc2ccccc21.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole?
The InChIKey is XTRAJBPTOKWFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-17-9-8-15-14(17)10-18-11(2)16-12-6-4-5-7-13(12)18/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole?
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole has a molecular weight of 240.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 79760580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).