6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole

C19H18N6 — CID 50949448

IUPAC6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(Cc3nc(C4CC4)nn3-c3ccccn3)cc2[nH]1
InChIInChI=1S/C19H18N6/c1-12-21-15-8-5-13(10-16(15)22-12)11-18-23-19(14-6-7-14)24-25(18)17-4-2-3-9-20-17/h2-5,8-10,14H,6-7,11H2,1H3,(H,21,22)
InChIKeyZTBUTQZFVZXBJV-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.32
Rot. Bonds4

About 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole

6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole (PubChem CID 50949448) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
PubChem CID50949448
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(Cc3nc(C4CC4)nn3-c3ccccn3)cc2[nH]1
InChIInChI=1S/C19H18N6/c1-12-21-15-8-5-13(10-16(15)22-12)11-18-23-19(14-6-7-14)24-25(18)17-4-2-3-9-20-17/h2-5,8-10,14H,6-7,11H2,1H3,(H,21,22)
InChIKeyZTBUTQZFVZXBJV-UHFFFAOYSA-N
XLogP3.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole with MolForge

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Related Compounds

6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole
CID 146039202
2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine
CID 50961433
5-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-2-yl-1,2,4-triazol-3-amine
CID 56962741
6-[(2-tert-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
CID 72900585
2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine
CID 50960292
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269
N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 146045139
3-[[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]phenol
CID 72845786
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
1-(3-bromo-2-pyridinyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethanamine
CID 167951764
2-[3-cyclopropyl-5-[(1R)-2-(1H-imidazol-5-yl)-1-pyrrol-1-ylethyl]-1,2,4-triazol-1-yl]pyridine
CID 95225534

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole?
The IUPAC name of 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole (CID 50949448) is 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole is Cc1nc2ccc(Cc3nc(C4CC4)nn3-c3ccccn3)cc2[nH]1.
What is the InChIKey of 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole?
The InChIKey is ZTBUTQZFVZXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-12-21-15-8-5-13(10-16(15)22-12)11-18-23-19(14-6-7-14)24-25(18)17-4-2-3-9-20-17/h2-5,8-10,14H,6-7,11H2,1H3,(H,21,22).
What are the key properties of 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole?
6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole has a molecular weight of 330.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole is sourced from PubChem (CID 50949448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).