4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide

C26H37N7O — CID 67163693

IUPAC4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
SMILESCC(C)(C)NC1CCC(NCc2ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1
InChIInChI=1S/C26H37N7O/c1-26(2,3)32-22-10-8-21(9-11-22)31-16-19-4-6-20(7-5-19)25(34)33(17-23-27-12-13-28-23)18-24-29-14-15-30-24/h4-7,12-15,21-22,31-32H,8-11,16-18H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyZUBGIZCIZTXSSV-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.76
Rot. Bonds9

About 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide

4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide (PubChem CID 67163693) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
PubChem CID67163693
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
SMILESCC(C)(C)NC1CCC(NCc2ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1
InChIInChI=1S/C26H37N7O/c1-26(2,3)32-22-10-8-21(9-11-22)31-16-19-4-6-20(7-5-19)25(34)33(17-23-27-12-13-28-23)18-24-29-14-15-30-24/h4-7,12-15,21-22,31-32H,8-11,16-18H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyZUBGIZCIZTXSSV-UHFFFAOYSA-N
XLogP3.76
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[4-(azocan-1-yl)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 59649558
N-(1H-benzimidazol-2-ylmethyl)-4-[[[4-[cyclohexyl(propyl)amino]cyclohexyl]amino]methyl]-N-(1H-imidazol-2-ylmethyl)benzamide
CID 11534381
N,N-bis(1H-imidazol-2-ylmethyl)-4-[[(1-propylpiperidin-4-yl)methylamino]methyl]benzamide
CID 67163372
4-[[[4-(dipropylamino)cyclohexyl]-(2-hydroxyethyl)amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67500991
(E)-3-[4-[[[4-(dipropylamino)cyclohexyl]amino]methyl]phenyl]-N,N-bis(1H-imidazol-2-ylmethyl)prop-2-enamide
CID 67163063
4-[2-[4-[benzyl(propyl)amino]cyclohexyl]ethyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 58300393
4-[[(1-heptan-2-ylpiperidin-4-yl)methylamino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 143191022
4-[[[4-[1-[cyclohexyl(propyl)amino]ethenyl]cyclohexyl]-propylamino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 143191033
4-[2-(1-cycloheptylpiperidin-4-yl)ethyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 146917664
4-[[[4-(dipropylamino)cyclohexyl]-(2-phenylacetyl)amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67502926
cyclohexyl-[[4-[[4-[[1H-imidazol-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoyl]amino]phenyl]methyl]carbamic acid
CID 21084424
1-N-[4-(dipropylamino)butyl]-4-N,4-N-bis(1H-imidazol-2-ylmethyl)benzene-1,4-dicarboxamide
CID 59649548

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
The IUPAC name of 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide (CID 67163693) is 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide is CC(C)(C)NC1CCC(NCc2ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1.
What is the InChIKey of 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
The InChIKey is ZUBGIZCIZTXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O/c1-26(2,3)32-22-10-8-21(9-11-22)31-16-19-4-6-20(7-5-19)25(34)33(17-23-27-12-13-28-23)18-24-29-14-15-30-24/h4-7,12-15,21-22,31-32H,8-11,16-18H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide has a molecular weight of 463.63 g/mol, XLogP of 3.76, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(tert-butylamino)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 67163693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).