3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole

C16H18N4O2 — CID 139004051

IUPAC3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(Cn3cnc4ccccc43)no2)CC1
InChIInChI=1S/C16H18N4O2/c1-21-9-8-16(6-7-16)15-18-14(19-22-15)10-20-11-17-12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3
InChIKeyVAQSUGIBAPRSFJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.54
Rot. Bonds6

About 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole

3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 139004051) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID139004051
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(Cn3cnc4ccccc43)no2)CC1
InChIInChI=1S/C16H18N4O2/c1-21-9-8-16(6-7-16)15-18-14(19-22-15)10-20-11-17-12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3
InChIKeyVAQSUGIBAPRSFJ-UHFFFAOYSA-N
XLogP2.54
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 114218088
5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole
CID 166213332
[4-[[3-(benzimidazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxothian-4-yl]methanamine
CID 167851497
[4-[3-[4-(benzimidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine;hydrochloride
CID 120955770
3-(benzimidazol-1-ylmethyl)-5-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,4-oxadiazole
CID 100675712
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
3-(benzimidazol-1-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 139002569
5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 56871077
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893709
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 72859464

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole (CID 139004051) is 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole is COCCC1(c2nc(Cn3cnc4ccccc43)no2)CC1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is VAQSUGIBAPRSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-21-9-8-16(6-7-16)15-18-14(19-22-15)10-20-11-17-12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139004051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).