1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole

C12H13FN6 — CID 75426367

IUPAC1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole
SMILESCCn1c(Cn2nnnc2C)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN6/c1-3-18-11-5-4-9(13)6-10(11)14-12(18)7-19-8(2)15-16-17-19/h4-6H,3,7H2,1-2H3
InChIKeyPUKLDPCRTMNTAH-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.54
Rot. Bonds3

About 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole

1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole (PubChem CID 75426367) has the molecular formula C12H13FN6 and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole
PubChem CID75426367
Molecular FormulaC12H13FN6
Molecular Weight260.28 g/mol
Exact Mass260.12
IUPAC Name1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole
SMILESCCn1c(Cn2nnnc2C)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN6/c1-3-18-11-5-4-9(13)6-10(11)14-12(18)7-19-8(2)15-16-17-19/h4-6H,3,7H2,1-2H3
InChIKeyPUKLDPCRTMNTAH-UHFFFAOYSA-N
XLogP1.54
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole?
The IUPAC name of 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole (CID 75426367) is 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole is CCn1c(Cn2nnnc2C)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole?
The InChIKey is PUKLDPCRTMNTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6/c1-3-18-11-5-4-9(13)6-10(11)14-12(18)7-19-8(2)15-16-17-19/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole?
1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole has a molecular weight of 260.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole is sourced from PubChem (CID 75426367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).