N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C28H25N5O2 — CID 50765544

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCCn1c(CCc2ccc(NC(=O)c3[nH]nc4c3COc3ccccc3-4)cc2)nc2ccccc21
InChIInChI=1S/C28H25N5O2/c1-2-33-23-9-5-4-8-22(23)30-25(33)16-13-18-11-14-19(15-12-18)29-28(34)27-21-17-35-24-10-6-3-7-20(24)26(21)31-32-27/h3-12,14-15H,2,13,16-17H2,1H3,(H,29,34)(H,31,32)
InChIKeyZROMFEFUJIJFLB-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.38
Rot. Bonds6

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 50765544) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID50765544
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCCn1c(CCc2ccc(NC(=O)c3[nH]nc4c3COc3ccccc3-4)cc2)nc2ccccc21
InChIInChI=1S/C28H25N5O2/c1-2-33-23-9-5-4-8-22(23)30-25(33)16-13-18-11-14-19(15-12-18)29-28(34)27-21-17-35-24-10-6-3-7-20(24)26(21)31-32-27/h3-12,14-15H,2,13,16-17H2,1H3,(H,29,34)(H,31,32)
InChIKeyZROMFEFUJIJFLB-UHFFFAOYSA-N
XLogP5.38
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 50765570
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954219
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 46981456
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 94070093
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-5-thiophen-2-ylpyrazolidine-3-carboxamide
CID 75187239
methyl 2-(2,4-dihydrochromeno[4,3-c]pyrazole-3-carbonylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 75488971
3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382310
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 50765544) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is CCn1c(CCc2ccc(NC(=O)c3[nH]nc4c3COc3ccccc3-4)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZROMFEFUJIJFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-2-33-23-9-5-4-8-22(23)30-25(33)16-13-18-11-14-19(15-12-18)29-28(34)27-21-17-35-24-10-6-3-7-20(24)26(21)31-32-27/h3-12,14-15H,2,13,16-17H2,1H3,(H,29,34)(H,31,32).
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 50765544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).