N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide

C26H39N7O — CID 67163976

IUPACN-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCCCN(CCC)CCCCNCc1ccc(CN(Cc2ncc[nH]2)C(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C26H39N7O/c1-3-14-32(15-4-2)16-6-5-11-27-17-22-7-9-23(10-8-22)19-33(20-25-29-12-13-30-25)26(34)24-18-28-21-31-24/h7-10,12-13,18,21,27H,3-6,11,14-17,19-20H2,1-2H3,(H,28,31)(H,29,30)
InChIKeySTJXRYOYXZBLTP-UHFFFAOYSA-N
MW465.65 g/mol
LogP3.97
Rot. Bonds16

About N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide

N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide (PubChem CID 67163976) has the molecular formula C26H39N7O and a molecular weight of 465.65 g/mol. Its IUPAC name is N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide
PubChem CID67163976
Molecular FormulaC26H39N7O
Molecular Weight465.65 g/mol
Exact Mass465.32
IUPAC NameN-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCCCN(CCC)CCCCNCc1ccc(CN(Cc2ncc[nH]2)C(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C26H39N7O/c1-3-14-32(15-4-2)16-6-5-11-27-17-22-7-9-23(10-8-22)19-33(20-25-29-12-13-30-25)26(34)24-18-28-21-31-24/h7-10,12-13,18,21,27H,3-6,11,14-17,19-20H2,1-2H3,(H,28,31)(H,29,30)
InChIKeySTJXRYOYXZBLTP-UHFFFAOYSA-N
XLogP3.97
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.65
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-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-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 67162986
1-N-[4-(dipropylamino)butyl]-4-N,4-N-bis(1H-imidazol-2-ylmethyl)benzene-1,4-dicarboxamide
CID 59649548
1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 119064187
N,N-bis(1H-imidazol-2-ylmethyl)-4-[[(1-propylpiperidin-4-yl)methylamino]methyl]benzamide
CID 67163372
2-[4-(dipropylamino)butyl]-5-[(1H-imidazol-2-ylmethylamino)methyl]isoindole-1,3-dione
CID 21084381
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
4-[[[4-(dipropylamino)cyclohexyl]-(2-hydroxyethyl)amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67500991
4-[[(1-heptan-2-ylpiperidin-4-yl)methylamino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 143191022
4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67163693
4-[5-(dipropylamino)pentylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-(3H-pyrrol-2-ylmethyl)benzamide
CID 58300385
4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]benzamide
CID 10435884
N-[4-(dipropylamino)butyl]-5-[[1-(1H-imidazol-2-yl)ethyl-(1H-imidazol-2-ylmethyl)amino]methyl]pyrazine-2-carboxamide
CID 66941926

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide (CID 67163976) is N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide is CCCN(CCC)CCCCNCc1ccc(CN(Cc2ncc[nH]2)C(=O)c2cnc[nH]2)cc1.
What is the InChIKey of N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide?
The InChIKey is STJXRYOYXZBLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O/c1-3-14-32(15-4-2)16-6-5-11-27-17-22-7-9-23(10-8-22)19-33(20-25-29-12-13-30-25)26(34)24-18-28-21-31-24/h7-10,12-13,18,21,27H,3-6,11,14-17,19-20H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide?
N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide has a molecular weight of 465.65 g/mol, XLogP of 3.97, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 67163976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).