2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine

C25H25N7 — CID 141002899

IUPAC2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine
SMILESNC(N)=Nc1ccc2nc(Cc3nc4ccccc4n3CCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C25H25N7/c26-25(27)28-18-12-13-19-21(15-18)30-23(29-19)16-24-31-20-10-4-5-11-22(20)32(24)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2,(H,29,30)(H4,26,27,28)
InChIKeyBUUWIMYBHDOAHE-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.04
Rot. Bonds7

About 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine

2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine (PubChem CID 141002899) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine.

Molecular Properties

Compound Name2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine
PubChem CID141002899
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine
SMILESNC(N)=Nc1ccc2nc(Cc3nc4ccccc4n3CCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C25H25N7/c26-25(27)28-18-12-13-19-21(15-18)30-23(29-19)16-24-31-20-10-4-5-11-22(20)32(24)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2,(H,29,30)(H4,26,27,28)
InChIKeyBUUWIMYBHDOAHE-UHFFFAOYSA-N
XLogP4.04
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
CID 70081461
2-[[1-[2-(ethylsulfonylamino)ethyl]benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
CID 70114449
2-[[6-(diaminomethylideneamino)-1H-benzimidazol-2-yl]methyl]-3-(2-hydroxypropyl)-N-(2-naphthalen-1-ylethyl)benzimidazole-5-carboxamide
CID 10303120
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
2-[2-[1-(1-methylbenzimidazol-2-yl)ethyl]-3H-benzimidazol-5-yl]guanidine
CID 141002897
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
3-(2-aminoethyl)-2-(1H-benzimidazol-2-ylmethyl)benzimidazole-5-carbonitrile
CID 54494001
N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992231
N-[2-[2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]benzimidazol-1-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 54542655
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine?
The IUPAC name of 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine (CID 141002899) is 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine.
What is the SMILES notation for 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine?
The canonical SMILES for 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine is NC(N)=Nc1ccc2nc(Cc3nc4ccccc4n3CCCc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine?
The InChIKey is BUUWIMYBHDOAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c26-25(27)28-18-12-13-19-21(15-18)30-23(29-19)16-24-31-20-10-4-5-11-22(20)32(24)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2,(H,29,30)(H4,26,27,28).
What are the key properties of 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine?
2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine has a molecular weight of 423.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]guanidine is sourced from PubChem (CID 141002899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).