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

C26H37N7O2 — CID 67162986

IUPACN-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)C(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C26H37N7O2/c1-3-16-32(17-4-2)18-6-5-11-31-25(34)22-9-7-21(8-10-22)19-33(20-23-27-12-13-28-23)26(35)24-29-14-15-30-24/h7-10,12-15H,3-6,11,16-20H2,1-2H3,(H,27,28)(H,29,30)(H,31,34)
InChIKeyCEWUXPNDKMOSDI-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.61
Rot. Bonds15

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

N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide (PubChem CID 67162986) has the molecular formula C26H37N7O2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide
PubChem CID67162986
Molecular FormulaC26H37N7O2
Molecular Weight479.63 g/mol
Exact Mass479.30
IUPAC NameN-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCCCN(CCC)CCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)C(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C26H37N7O2/c1-3-16-32(17-4-2)18-6-5-11-31-25(34)22-9-7-21(8-10-22)19-33(20-23-27-12-13-28-23)26(35)24-29-14-15-30-24/h7-10,12-15H,3-6,11,16-20H2,1-2H3,(H,27,28)(H,29,30)(H,31,34)
InChIKeyCEWUXPNDKMOSDI-UHFFFAOYSA-N
XLogP3.61
TPSA110.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.61
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

1-N-[4-(dipropylamino)butyl]-4-N,4-N-bis(1H-imidazol-2-ylmethyl)benzene-1,4-dicarboxamide
CID 59649548
N-[[4-[[4-(dipropylamino)butylamino]methyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 67163976
N-[4-[bis(3-methylbutyl)amino]butyl]-4-[[4,5-dihydro-1H-imidazol-2-ylmethyl(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
CID 70834558
4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide
CID 141125970
4-(2,2-dimethylpropyl)-N-[4-(dipropylamino)butyl]benzamide
CID 123149728
4-[[[4-(dipropylamino)cyclohexyl]-(2-hydroxyethyl)amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67500991
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
4-[5-(dipropylamino)pentylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-(3H-pyrrol-2-ylmethyl)benzamide
CID 58300385
2-N-[4-[di(propan-2-yl)amino]butyl]-5-N,5-N-bis(1H-imidazol-2-ylmethyl)pyrimidine-2,5-dicarboxamide
CID 69112138
N-[4-(dipropylamino)butyl]-5-[[1-(1H-imidazol-2-yl)ethyl-(1H-imidazol-2-ylmethyl)amino]methyl]pyrazine-2-carboxamide
CID 66941926
N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
CID 21084508
N-[4-(dipropylamino)butyl]-5-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazine-2-carboxamide
CID 58801915

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide (CID 67162986) is N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide is CCCN(CCC)CCCCNC(=O)c1ccc(CN(Cc2ncc[nH]2)C(=O)c2ncc[nH]2)cc1.
What is the InChIKey of N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide?
The InChIKey is CEWUXPNDKMOSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2/c1-3-16-32(17-4-2)18-6-5-11-31-25(34)22-9-7-21(8-10-22)19-33(20-23-27-12-13-28-23)26(35)24-29-14-15-30-24/h7-10,12-15H,3-6,11,16-20H2,1-2H3,(H,27,28)(H,29,30)(H,31,34).
What are the key properties of N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide?
N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 3.61, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(dipropylamino)butylcarbamoyl]phenyl]methyl]-N-(1H-imidazol-2-ylmethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 67162986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).