[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine

C14H10ClF2N3 — CID 82774776

IUPAC[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C14H10ClF2N3/c15-9-5-10(16)8(4-11(9)17)14-19-12-2-1-7(6-18)3-13(12)20-14/h1-5H,6,18H2,(H,19,20)
InChIKeyXHUPVWJUDLNHGM-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.62
Rot. Bonds2

About [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine

[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 82774776) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID82774776
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C14H10ClF2N3/c15-9-5-10(16)8(4-11(9)17)14-19-12-2-1-7(6-18)3-13(12)20-14/h1-5H,6,18H2,(H,19,20)
InChIKeyXHUPVWJUDLNHGM-UHFFFAOYSA-N
XLogP3.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004467
[2-(2,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004389
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004447
[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
(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine
CID 79004277
[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004543
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
CID 82141996
[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004485
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine (CID 82774776) is [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2c1.
What is the InChIKey of [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is XHUPVWJUDLNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c15-9-5-10(16)8(4-11(9)17)14-19-12-2-1-7(6-18)3-13(12)20-14/h1-5H,6,18H2,(H,19,20).
What are the key properties of [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine?
[2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 293.70 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2,5-difluorophenyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 82774776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).