N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide

C29H32N6O — CID 57375837

IUPACN'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILESN/C(=N\C1CCCC1)c1ccc2nc(-c3ccc(-c4ccc(C=NNC5CCCC5)cc4)o3)[nH]c2c1
InChIInChI=1S/C29H32N6O/c30-28(32-22-5-1-2-6-22)21-13-14-24-25(17-21)34-29(33-24)27-16-15-26(36-27)20-11-9-19(10-12-20)18-31-35-23-7-3-4-8-23/h9-18,22-23,35H,1-8H2,(H2,30,32)(H,33,34)
InChIKeyRTVMAJLEPAGGFM-UHFFFAOYSA-N
MW480.62 g/mol
LogP6.00
Rot. Bonds7

About N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide

N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide (PubChem CID 57375837) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
PubChem CID57375837
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC NameN'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
SMILESN/C(=N\C1CCCC1)c1ccc2nc(-c3ccc(-c4ccc(C=NNC5CCCC5)cc4)o3)[nH]c2c1
InChIInChI=1S/C29H32N6O/c30-28(32-22-5-1-2-6-22)21-13-14-24-25(17-21)34-29(33-24)27-16-15-26(36-27)20-11-9-19(10-12-20)18-31-35-23-7-3-4-8-23/h9-18,22-23,35H,1-8H2,(H2,30,32)(H,33,34)
InChIKeyRTVMAJLEPAGGFM-UHFFFAOYSA-N
XLogP6.00
TPSA104.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-(N'-cyclohexylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid
CID 4915243
N'-cyclohexyl-2-[5-[6-(N'-cyclohexylcarbamimidoyl)-1H-benzimidazol-2-yl]thiophen-2-yl]-3H-benzimidazole-5-carboximidamide
CID 70557847
N'-cyclohexyl-2-[5-[6-(N'-cyclohexylcarbamimidoyl)-1H-benzimidazol-2-yl]thiophen-2-yl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 70557846
N'-cyclobutyl-2-[2-(3-methylphenyl)-2,3-dihydro-1H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 146521829
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
N'-cyclopentyl-2-[4-[5-[4-[6-(N'-cyclopentylcarbamimidoyl)-1H-benzimidazole-2-carbonyl]phenyl]-1-methylpyrrol-2-yl]benzoyl]-3H-benzimidazole-5-carboximidamide
CID 11181762
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272
[amino-[5-[5-[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]furan-2-yl]furan-2-yl]methylidene]azanium
CID 136745223
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690364
2-(4-bromophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 171663377

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide (CID 57375837) is N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide is N/C(=N\C1CCCC1)c1ccc2nc(-c3ccc(-c4ccc(C=NNC5CCCC5)cc4)o3)[nH]c2c1.
What is the InChIKey of N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is RTVMAJLEPAGGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O/c30-28(32-22-5-1-2-6-22)21-13-14-24-25(17-21)34-29(33-24)27-16-15-26(36-27)20-11-9-19(10-12-20)18-31-35-23-7-3-4-8-23/h9-18,22-23,35H,1-8H2,(H2,30,32)(H,33,34).
What are the key properties of N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide?
N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 480.62 g/mol, XLogP of 6.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2-[5-[4-[(cyclopentylhydrazinylidene)methyl]phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 57375837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).