1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole

C16H20N4 — CID 116627018

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cncn1CC
InChIInChI=1S/C16H20N4/c1-3-7-16-18-14-8-5-6-9-15(14)20(16)11-13-10-17-12-19(13)4-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyOCDGJTHYFSHSJY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.25
Rot. Bonds5

About 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole

1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole (PubChem CID 116627018) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole
PubChem CID116627018
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1cncn1CC
InChIInChI=1S/C16H20N4/c1-3-7-16-18-14-8-5-6-9-15(14)20(16)11-13-10-17-12-19(13)4-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyOCDGJTHYFSHSJY-UHFFFAOYSA-N
XLogP3.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.25
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-benzyl-2-propylbenzimidazole
CID 764560
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
CID 116627005
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
2-(2-chloroethyl)-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 106302994
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
5-propyl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115591565
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 115971046

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole (CID 116627018) is 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1cncn1CC.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole?
The InChIKey is OCDGJTHYFSHSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-7-16-18-14-8-5-6-9-15(14)20(16)11-13-10-17-12-19(13)4-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3.
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole?
1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole has a molecular weight of 268.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole is sourced from PubChem (CID 116627018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).