2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide

C26H25N5O4 — CID 177377074

IUPAC2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C(C)C1
InChIInChI=1S/C26H25N5O4/c1-15-10-13-35-22(15)26(34)30-11-12-31(16(2)14-30)25(33)18-8-6-17(7-9-18)24-28-20-5-3-4-19(23(27)32)21(20)29-24/h3-10,13,16H,11-12,14H2,1-2H3,(H2,27,32)(H,28,29)
InChIKeyZQMGSEVLUHJWLL-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.22
Rot. Bonds4

About 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide

2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 177377074) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID177377074
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C(C)C1
InChIInChI=1S/C26H25N5O4/c1-15-10-13-35-22(15)26(34)30-11-12-31(16(2)14-30)25(33)18-8-6-17(7-9-18)24-28-20-5-3-4-19(23(27)32)21(20)29-24/h3-10,13,16H,11-12,14H2,1-2H3,(H2,27,32)(H,28,29)
InChIKeyZQMGSEVLUHJWLL-UHFFFAOYSA-N
XLogP3.22
TPSA125.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Mrs-1706
CID 5139184
Furodazole
CID 312914
6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
CID 133053541
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1932249
N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 655022
N-[4-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 763448
N-(2-phenyl-1H-benzimidazol-5-yl)furan-2-carboxamide
CID 1084669
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
N-[(1H-1,3-benzodiazol-2-yl)methyl]furan-2-carboxamide
CID 659559
N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 2192323

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 177377074) is 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide is Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C(C)C1.
What is the InChIKey of 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is ZQMGSEVLUHJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-15-10-13-35-22(15)26(34)30-11-12-31(16(2)14-30)25(33)18-8-6-17(7-9-18)24-28-20-5-3-4-19(23(27)32)21(20)29-24/h3-10,13,16H,11-12,14H2,1-2H3,(H2,27,32)(H,28,29).
What are the key properties of 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 177377074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).