1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C15H16F2N2 — CID 116626506

IUPAC1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1cccc(F)c1F)CCCC2
InChIInChI=1S/C15H16F2N2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(16)15(11)17/h4-6H,2-3,7-9H2,1H3
InChIKeyCPLQYOMMNILZEU-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.40
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626506) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626506
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1Cc1cccc(F)c1F)CCCC2
InChIInChI=1S/C15H16F2N2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(16)15(11)17/h4-6H,2-3,7-9H2,1H3
InChIKeyCPLQYOMMNILZEU-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626506) is 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1Cc1cccc(F)c1F)CCCC2.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is CPLQYOMMNILZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-10-18-13-7-2-3-8-14(13)19(10)9-11-5-4-6-12(16)15(11)17/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 262.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).