1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole

C14H17N5 — CID 115582509

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3nnc(C)n3C)c2cc1C
InChIInChI=1S/C14H17N5/c1-9-5-12-13(6-10(9)2)19(8-15-12)7-14-17-16-11(3)18(14)4/h5-6,8H,7H2,1-4H3
InChIKeyXIBSWDSLTLYDRS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.14
Rot. Bonds2

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 115582509) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole
PubChem CID115582509
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3nnc(C)n3C)c2cc1C
InChIInChI=1S/C14H17N5/c1-9-5-12-13(6-10(9)2)19(8-15-12)7-14-17-16-11(3)18(14)4/h5-6,8H,7H2,1-4H3
InChIKeyXIBSWDSLTLYDRS-UHFFFAOYSA-N
XLogP2.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole (CID 115582509) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(Cc3nnc(C)n3C)c2cc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is XIBSWDSLTLYDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-5-12-13(6-10(9)2)19(8-15-12)7-14-17-16-11(3)18(14)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 255.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 115582509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).