[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone

C23H18N6O — CID 50924471

IUPAC[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
SMILESCn1cc(-c2cnc(N)c(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cn1
InChIInChI=1S/C23H18N6O/c1-29-13-17(12-26-29)16-9-18(22(24)25-11-16)23-27-19-8-7-15(10-20(19)28-23)21(30)14-5-3-2-4-6-14/h2-13H,1H3,(H2,24,25)(H,27,28)
InChIKeyNOLOLEFYIBQABJ-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.84
Rot. Bonds4

About [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone

[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone (PubChem CID 50924471) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
PubChem CID50924471
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
SMILESCn1cc(-c2cnc(N)c(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cn1
InChIInChI=1S/C23H18N6O/c1-29-13-17(12-26-29)16-9-18(22(24)25-11-16)23-27-19-8-7-15(10-20(19)28-23)21(30)14-5-3-2-4-6-14/h2-13H,1H3,(H2,24,25)(H,27,28)
InChIKeyNOLOLEFYIBQABJ-UHFFFAOYSA-N
XLogP3.84
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone (CID 50924471) is [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone is Cn1cc(-c2cnc(N)c(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cn1.
What is the InChIKey of [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The InChIKey is NOLOLEFYIBQABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-29-13-17(12-26-29)16-9-18(22(24)25-11-16)23-27-19-8-7-15(10-20(19)28-23)21(30)14-5-3-2-4-6-14/h2-13H,1H3,(H2,24,25)(H,27,28).
What are the key properties of [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone has a molecular weight of 394.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 50924471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).