5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine

C13H13ClFN5 — CID 106035619

IUPAC5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
SMILESCc1c(Cn2c(N)nc3cc(Cl)c(F)cc32)cnn1C
InChIInChI=1S/C13H13ClFN5/c1-7-8(5-17-19(7)2)6-20-12-4-10(15)9(14)3-11(12)18-13(20)16/h3-5H,6H2,1-2H3,(H2,16,18)
InChIKeyDCOVGTHUZXCENK-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.50
Rot. Bonds2

About 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine

5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine (PubChem CID 106035619) has the molecular formula C13H13ClFN5 and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
PubChem CID106035619
Molecular FormulaC13H13ClFN5
Molecular Weight293.73 g/mol
Exact Mass293.08
IUPAC Name5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
SMILESCc1c(Cn2c(N)nc3cc(Cl)c(F)cc32)cnn1C
InChIInChI=1S/C13H13ClFN5/c1-7-8(5-17-19(7)2)6-20-12-4-10(15)9(14)3-11(12)18-13(20)16/h3-5H,6H2,1-2H3,(H2,16,18)
InChIKeyDCOVGTHUZXCENK-UHFFFAOYSA-N
XLogP2.50
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106035579
2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106035643
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 106035582
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106039427
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
ethyl 3-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66078519
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine
CID 66076737

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine (CID 106035619) is 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine is Cc1c(Cn2c(N)nc3cc(Cl)c(F)cc32)cnn1C.
What is the InChIKey of 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
The InChIKey is DCOVGTHUZXCENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5/c1-7-8(5-17-19(7)2)6-20-12-4-10(15)9(14)3-11(12)18-13(20)16/h3-5H,6H2,1-2H3,(H2,16,18).
What are the key properties of 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine?
5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine has a molecular weight of 293.73 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 106035619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).