4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine

C18H14FN5 — CID 18375438

IUPAC4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine
SMILESFc1ccccc1CNc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C18H14FN5/c19-14-6-2-1-5-13(14)11-21-18-20-10-9-17(23-18)24-12-22-15-7-3-4-8-16(15)24/h1-10,12H,11H2,(H,20,21,23)
InChIKeyDWFYEXCIXIDPKR-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.57
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine

4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine (PubChem CID 18375438) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine
PubChem CID18375438
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine
SMILESFc1ccccc1CNc1nccc(-n2cnc3ccccc32)n1
InChIInChI=1S/C18H14FN5/c19-14-6-2-1-5-13(14)11-21-18-20-10-9-17(23-18)24-12-22-15-7-3-4-8-16(15)24/h1-10,12H,11H2,(H,20,21,23)
InChIKeyDWFYEXCIXIDPKR-UHFFFAOYSA-N
XLogP3.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 18375779
4-(benzimidazol-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 70003536
4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
CID 15549651
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
N'-[4-(benzimidazol-1-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 129086145
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 134004771
4-N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 146244080
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
CID 142035804
N-[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]propyl]-4-methoxybenzenesulfonamide
CID 170909423
[3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 139939767

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine (CID 18375438) is 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine is Fc1ccccc1CNc1nccc(-n2cnc3ccccc32)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine?
The InChIKey is DWFYEXCIXIDPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-14-6-2-1-5-13(14)11-21-18-20-10-9-17(23-18)24-12-22-15-7-3-4-8-16(15)24/h1-10,12H,11H2,(H,20,21,23).
What are the key properties of 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine has a molecular weight of 319.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 18375438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).