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

C14H17N5 — CID 116627005

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1nncn1C
InChIInChI=1S/C14H17N5/c1-3-6-13-16-11-7-4-5-8-12(11)19(13)9-14-17-15-10-18(14)2/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyZPITVZLFLJWFRY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.17
Rot. Bonds4

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

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole (PubChem CID 116627005) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
PubChem CID116627005
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1nncn1C
InChIInChI=1S/C14H17N5/c1-3-6-13-16-11-7-4-5-8-12(11)19(13)9-14-17-15-10-18(14)2/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyZPITVZLFLJWFRY-UHFFFAOYSA-N
XLogP2.17
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 55135622
1-benzyl-2-propylbenzimidazole
CID 764560
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
2-(2-chloroethyl)-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 106302994
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
CID 112683284
1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole
CID 116627018
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole (CID 116627005) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1nncn1C.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole?
The InChIKey is ZPITVZLFLJWFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-6-13-16-11-7-4-5-8-12(11)19(13)9-14-17-15-10-18(14)2/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole has a molecular weight of 255.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole is sourced from PubChem (CID 116627005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).