6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine

C13H13F2N5 — CID 62533220

IUPAC6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCn1ccnc1CCn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C13H13F2N5/c1-19-7-5-17-10(19)4-6-20-12-9(18-13(20)16)3-2-8(14)11(12)15/h2-3,5,7H,4,6H2,1H3,(H2,16,18)
InChIKeyBCDLVIVWDWAAIF-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.87
Rot. Bonds3

About 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine

6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 62533220) has the molecular formula C13H13F2N5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine
PubChem CID62533220
Molecular FormulaC13H13F2N5
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCn1ccnc1CCn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C13H13F2N5/c1-19-7-5-17-10(19)4-6-20-12-9(18-13(20)16)3-2-8(14)11(12)15/h2-3,5,7H,4,6H2,1H3,(H2,16,18)
InChIKeyBCDLVIVWDWAAIF-UHFFFAOYSA-N
XLogP1.87
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
CID 62531704
6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine
CID 62532411
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 55171384
7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 63295616
6-chloro-2-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471397
methyl 2-(2-amino-6,7-difluorobenzimidazol-1-yl)acetate
CID 62532038
1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106035579
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106302379

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine (CID 62533220) is 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine is Cn1ccnc1CCn1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is BCDLVIVWDWAAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5/c1-19-7-5-17-10(19)4-6-20-12-9(18-13(20)16)3-2-8(14)11(12)15/h2-3,5,7H,4,6H2,1H3,(H2,16,18).
What are the key properties of 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine?
6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 277.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 62533220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).