[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone

C30H24N8O2 — CID 138672421

IUPAC[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2nc3ccccc3[nH]2)c1)N1CCN(C(=O)c2ccnc(-c3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C30H24N8O2/c39-29(19-9-11-31-25(17-19)27-33-21-5-1-2-6-22(21)34-27)37-13-15-38(16-14-37)30(40)20-10-12-32-26(18-20)28-35-23-7-3-4-8-24(23)36-28/h1-12,17-18H,13-16H2,(H,33,34)(H,35,36)
InChIKeyGTPFXYXZQFHYPK-UHFFFAOYSA-N
MW528.58 g/mol
LogP4.16
Rot. Bonds4

About [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone

[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone (PubChem CID 138672421) has the molecular formula C30H24N8O2 and a molecular weight of 528.58 g/mol. Its IUPAC name is [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
PubChem CID138672421
Molecular FormulaC30H24N8O2
Molecular Weight528.58 g/mol
Exact Mass528.20
IUPAC Name[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2nc3ccccc3[nH]2)c1)N1CCN(C(=O)c2ccnc(-c3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C30H24N8O2/c39-29(19-9-11-31-25(17-19)27-33-21-5-1-2-6-22(21)34-27)37-13-15-38(16-14-37)30(40)20-10-12-32-26(18-20)28-35-23-7-3-4-8-24(23)36-28/h1-12,17-18H,13-16H2,(H,33,34)(H,35,36)
InChIKeyGTPFXYXZQFHYPK-UHFFFAOYSA-N
XLogP4.16
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.58
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 119063003
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 137292412
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide
CID 137303147
(2-pyridin-2-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 134346209
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
(2-methyl-3H-benzimidazol-5-yl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814093
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone?
The IUPAC name of [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone (CID 138672421) is [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone?
The canonical SMILES for [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone is O=C(c1ccnc(-c2nc3ccccc3[nH]2)c1)N1CCN(C(=O)c2ccnc(-c3nc4ccccc4[nH]3)c2)CC1.
What is the InChIKey of [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone?
The InChIKey is GTPFXYXZQFHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N8O2/c39-29(19-9-11-31-25(17-19)27-33-21-5-1-2-6-22(21)34-27)37-13-15-38(16-14-37)30(40)20-10-12-32-26(18-20)28-35-23-7-3-4-8-24(23)36-28/h1-12,17-18H,13-16H2,(H,33,34)(H,35,36).
What are the key properties of [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone?
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone has a molecular weight of 528.58 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 138672421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).