4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine

C14H10ClF2N3 — CID 104837124

IUPAC4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2N3/c15-10-2-1-3-12-13(10)19-14(18)20(12)7-8-6-9(16)4-5-11(8)17/h1-6H,7H2,(H2,18,19)
InChIKeySVERRIQTEXGBAN-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine

4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine (PubChem CID 104837124) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
PubChem CID104837124
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2N3/c15-10-2-1-3-12-13(10)19-14(18)20(12)7-8-6-9(16)4-5-11(8)17/h1-6H,7H2,(H2,18,19)
InChIKeySVERRIQTEXGBAN-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
CID 106294645
4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
CID 104836999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine (CID 104837124) is 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1Cc1cc(F)ccc1F.
What is the InChIKey of 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is SVERRIQTEXGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c15-10-2-1-3-12-13(10)19-14(18)20(12)7-8-6-9(16)4-5-11(8)17/h1-6H,7H2,(H2,18,19).
What are the key properties of 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine?
4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 293.70 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 104837124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).