(2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone

C14H10FN3O — CID 57358774

IUPAC(2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C14H10FN3O/c15-10-4-1-8(2-5-10)13(19)9-3-6-11-12(7-9)18-14(16)17-11/h1-7H,(H3,16,17,18)
InChIKeyWINHLTQNRABBSW-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.52
Rot. Bonds2

About (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone

(2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone (PubChem CID 57358774) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone
PubChem CID57358774
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name(2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C14H10FN3O/c15-10-4-1-8(2-5-10)13(19)9-3-6-11-12(7-9)18-14(16)17-11/h1-7H,(H3,16,17,18)
InChIKeyWINHLTQNRABBSW-UHFFFAOYSA-N
XLogP2.52
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone (CID 57358774) is (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone is Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone?
The InChIKey is WINHLTQNRABBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-4-1-8(2-5-10)13(19)9-3-6-11-12(7-9)18-14(16)17-11/h1-7H,(H3,16,17,18).
What are the key properties of (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone?
(2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone has a molecular weight of 255.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3H-benzimidazol-5-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 57358774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).