5,6-difluoro-N-methyl-1H-benzimidazol-2-amine

C8H7F2N3 — CID 175083308

IUPAC5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C8H7F2N3/c1-11-8-12-6-2-4(9)5(10)3-7(6)13-8/h2-3H,1H3,(H2,11,12,13)
InChIKeyXLKHVRYREDZHNQ-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.88
Rot. Bonds1

About 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine

5,6-difluoro-N-methyl-1H-benzimidazol-2-amine (PubChem CID 175083308) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
PubChem CID175083308
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
SMILESCNc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C8H7F2N3/c1-11-8-12-6-2-4(9)5(10)3-7(6)13-8/h2-3H,1H3,(H2,11,12,13)
InChIKeyXLKHVRYREDZHNQ-UHFFFAOYSA-N
XLogP1.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine
CID 170765023
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole
CID 103020900
5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
CID 65100266
N,6-dimethyl-2-(methylamino)-1H-benzimidazole-5-carboxamide
CID 59522615
2-(5,6-difluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 62803874
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
CID 64724109
(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite
CID 155081912
2-(5,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79798993
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine (CID 175083308) is 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine is CNc1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is XLKHVRYREDZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c1-11-8-12-6-2-4(9)5(10)3-7(6)13-8/h2-3H,1H3,(H2,11,12,13).
What are the key properties of 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine?
5,6-difluoro-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 183.16 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 175083308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).