2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole

C18H19N5O — CID 72924240

IUPAC2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2cn(Cc3ccoc3)nn2)nc2ccccc21
InChIInChI=1S/C18H19N5O/c1-13(2)9-23-17-6-4-3-5-15(17)19-18(23)16-11-22(21-20-16)10-14-7-8-24-12-14/h3-8,11-13H,9-10H2,1-2H3
InChIKeyPBZOLRSELPLQBP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.59
Rot. Bonds5

About 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole

2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole (PubChem CID 72924240) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole
PubChem CID72924240
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2cn(Cc3ccoc3)nn2)nc2ccccc21
InChIInChI=1S/C18H19N5O/c1-13(2)9-23-17-6-4-3-5-15(17)19-18(23)16-11-22(21-20-16)10-14-7-8-24-12-14/h3-8,11-13H,9-10H2,1-2H3
InChIKeyPBZOLRSELPLQBP-UHFFFAOYSA-N
XLogP3.59
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid
CID 22459964
4-(1-chloroethyl)-1-(furan-3-ylmethyl)triazole
CID 83182389
1-(furan-3-ylmethyl)-4-[(2S)-2-phenylpropyl]triazole
CID 95227892
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
5-chloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
CID 10236520
5,6-dichloro-3-[1-(2-methylpropyl)benzimidazol-2-yl]pyrazin-2-amine
CID 10193448
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole (CID 72924240) is 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(-c2cn(Cc3ccoc3)nn2)nc2ccccc21.
What is the InChIKey of 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is PBZOLRSELPLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13(2)9-23-17-6-4-3-5-15(17)19-18(23)16-11-22(21-20-16)10-14-7-8-24-12-14/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole?
2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 321.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-ylmethyl)triazol-4-yl]-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 72924240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).