[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine

C14H11ClFN3 — CID 79004467

IUPAC[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(Cl)ccc3F)[nH]c2c1
InChIInChI=1S/C14H11ClFN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyPQAFPCDMTPQGOJ-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.48
Rot. Bonds2

About [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine

[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004467) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004467
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(Cl)ccc3F)[nH]c2c1
InChIInChI=1S/C14H11ClFN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyPQAFPCDMTPQGOJ-UHFFFAOYSA-N
XLogP3.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004389
[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 82774776
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004447
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
CID 113436420
[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004360
[2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004404
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine
CID 79004277
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
CID 82141996
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine (CID 79004467) is [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(-c3cc(Cl)ccc3F)[nH]c2c1.
What is the InChIKey of [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is PQAFPCDMTPQGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,7,17H2,(H,18,19).
What are the key properties of [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine?
[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 275.71 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).