N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine

C19H15FN4 — CID 142440503

IUPACN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(-c2cccnc2NCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H15FN4/c20-15-6-4-14(5-7-15)16-2-1-9-21-19(16)22-11-13-3-8-17-18(10-13)24-12-23-17/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyVKWAOUVJRVRTKV-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.38
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine

N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine (PubChem CID 142440503) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
PubChem CID142440503
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
SMILESFc1ccc(-c2cccnc2NCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C19H15FN4/c20-15-6-4-14(5-7-15)16-2-1-9-21-19(16)22-11-13-3-8-17-18(10-13)24-12-23-17/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyVKWAOUVJRVRTKV-UHFFFAOYSA-N
XLogP4.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine (CID 142440503) is N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine is Fc1ccc(-c2cccnc2NCc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine?
The InChIKey is VKWAOUVJRVRTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c20-15-6-4-14(5-7-15)16-2-1-9-21-19(16)22-11-13-3-8-17-18(10-13)24-12-23-17/h1-10,12H,11H2,(H,21,22)(H,23,24).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine?
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 318.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 142440503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).