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

C19H25N5O — CID 146039202

IUPAC6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole
SMILESCOCCn1nc(C2CCCC2)nc1Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C19H25N5O/c1-13-20-16-8-7-14(11-17(16)21-13)12-18-22-19(15-5-3-4-6-15)23-24(18)9-10-25-2/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,20,21)
InChIKeyDHMJTJJDPTUOGN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.36
Rot. Bonds6

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

6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole (PubChem CID 146039202) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole
PubChem CID146039202
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole
SMILESCOCCn1nc(C2CCCC2)nc1Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C19H25N5O/c1-13-20-16-8-7-14(11-17(16)21-13)12-18-22-19(15-5-3-4-6-15)23-24(18)9-10-25-2/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,20,21)
InChIKeyDHMJTJJDPTUOGN-UHFFFAOYSA-N
XLogP3.36
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
CID 50949448
2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole
CID 154565078
2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146044951
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269
formic acid;N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 154920139
3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one
CID 167839741
6-[(2-tert-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
CID 72900585
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537

Frequently Asked Questions

What is the IUPAC name of 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole?
The IUPAC name of 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole (CID 146039202) is 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole is COCCn1nc(C2CCCC2)nc1Cc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole?
The InChIKey is DHMJTJJDPTUOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-20-16-8-7-14(11-17(16)21-13)12-18-22-19(15-5-3-4-6-15)23-24(18)9-10-25-2/h7-8,11,15H,3-6,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole?
6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole has a molecular weight of 339.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole is sourced from PubChem (CID 146039202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).