2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide

C24H21N5O4 — CID 164900115

IUPAC2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)nc12
InChIInChI=1S/C24H21N5O4/c25-21(30)17-3-1-4-18-20(17)27-22(26-18)15-6-8-16(9-7-15)23(31)28-10-12-29(13-11-28)24(32)19-5-2-14-33-19/h1-9,14H,10-13H2,(H2,25,30)(H,26,27)
InChIKeyKWOPWRFTBIKYGA-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide

2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 164900115) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID164900115
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)nc12
InChIInChI=1S/C24H21N5O4/c25-21(30)17-3-1-4-18-20(17)27-22(26-18)15-6-8-16(9-7-15)23(31)28-10-12-29(13-11-28)24(32)19-5-2-14-33-19/h1-9,14H,10-13H2,(H2,25,30)(H,26,27)
InChIKeyKWOPWRFTBIKYGA-UHFFFAOYSA-N
XLogP2.52
TPSA125.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 164900115) is 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)nc12.
What is the InChIKey of 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is KWOPWRFTBIKYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c25-21(30)17-3-1-4-18-20(17)27-22(26-18)15-6-8-16(9-7-15)23(31)28-10-12-29(13-11-28)24(32)19-5-2-14-33-19/h1-9,14H,10-13H2,(H2,25,30)(H,26,27).
What are the key properties of 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 164900115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).