1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine

C12H15ClFN3 — CID 114271711

IUPAC1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C12H15ClFN3/c1-3-6(2)10(15)12-16-8-5-4-7(13)9(14)11(8)17-12/h4-6,10H,3,15H2,1-2H3,(H,16,17)
InChIKeyBKSJLXOPUVRKFO-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.40
Rot. Bonds3

About 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine

1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine (PubChem CID 114271711) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
PubChem CID114271711
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc2c(F)c(Cl)ccc2[nH]1
InChIInChI=1S/C12H15ClFN3/c1-3-6(2)10(15)12-16-8-5-4-7(13)9(14)11(8)17-12/h4-6,10H,3,15H2,1-2H3,(H,16,17)
InChIKeyBKSJLXOPUVRKFO-UHFFFAOYSA-N
XLogP3.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 112556437
1-(4,5-difluoro-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 112556492
5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
CID 130658186
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 126972905
1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylbutan-1-amine
CID 63268373
2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine
CID 79795530
(1S,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 93307762
(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171228872
N-[1-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 112556921
4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683398
2-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)acetonitrile
CID 130987533
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine (CID 114271711) is 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1nc2c(F)c(Cl)ccc2[nH]1.
What is the InChIKey of 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The InChIKey is BKSJLXOPUVRKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3/c1-3-6(2)10(15)12-16-8-5-4-7(13)9(14)11(8)17-12/h4-6,10H,3,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine has a molecular weight of 255.72 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 114271711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).