N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C23H23N5O — CID 46290599

IUPACN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C23H23N5O/c29-23(22-17-5-1-2-6-18(17)27-28-22)24-16-12-9-15(10-13-16)11-14-21-25-19-7-3-4-8-20(19)26-21/h3-4,7-10,12-13H,1-2,5-6,11,14H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeySEWCBXRMVSECFP-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.20
Rot. Bonds5

About N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 46290599) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID46290599
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C23H23N5O/c29-23(22-17-5-1-2-6-18(17)27-28-22)24-16-12-9-15(10-13-16)11-14-21-25-19-7-3-4-8-20(19)26-21/h3-4,7-10,12-13H,1-2,5-6,11,14H2,(H,24,29)(H,25,26)(H,27,28)
InChIKeySEWCBXRMVSECFP-UHFFFAOYSA-N
XLogP4.20
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71705377
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 20930867
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
CID 46382289
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
CID 50825327
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 46969266
N-quinoxalin-6-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 126787422
N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110628950

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 46290599) is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SEWCBXRMVSECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23(22-17-5-1-2-6-18(17)27-28-22)24-16-12-9-15(10-13-16)11-14-21-25-19-7-3-4-8-20(19)26-21/h3-4,7-10,12-13H,1-2,5-6,11,14H2,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 46290599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).