N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide

C24H28N6O — CID 139561630

IUPACN-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3CCc2cnc[nH]2)cc1
InChIInChI=1S/C24H28N6O/c1-2-3-4-5-17-6-8-18(9-7-17)23(31)28-19-10-11-22-21(14-19)29-24(25)30(22)13-12-20-15-26-16-27-20/h6-11,14-16H,2-5,12-13H2,1H3,(H2,25,29)(H,26,27)(H,28,31)
InChIKeySTLPRPZBAPCXRD-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.57
Rot. Bonds9

About N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide

N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide (PubChem CID 139561630) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide.

Molecular Properties

Compound NameN-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
PubChem CID139561630
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC NameN-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3CCc2cnc[nH]2)cc1
InChIInChI=1S/C24H28N6O/c1-2-3-4-5-17-6-8-18(9-7-17)23(31)28-19-10-11-22-21(14-19)29-24(25)30(22)13-12-20-15-26-16-27-20/h6-11,14-16H,2-5,12-13H2,1H3,(H2,25,29)(H,26,27)(H,28,31)
InChIKeySTLPRPZBAPCXRD-UHFFFAOYSA-N
XLogP4.57
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
CID 139559947
N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
CID 90665393
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
CID 139561212
N-(4-octylphenyl)-1H-imidazole-5-carboxamide
CID 177471524
2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride
CID 139559905
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide?
The IUPAC name of N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide (CID 139561630) is N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide.
What is the SMILES notation for N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide?
The canonical SMILES for N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3CCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide?
The InChIKey is STLPRPZBAPCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-2-3-4-5-17-6-8-18(9-7-17)23(31)28-19-10-11-22-21(14-19)29-24(25)30(22)13-12-20-15-26-16-27-20/h6-11,14-16H,2-5,12-13H2,1H3,(H2,25,29)(H,26,27)(H,28,31).
What are the key properties of N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide?
N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide has a molecular weight of 416.53 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide is sourced from PubChem (CID 139561630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).