2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol

C24H32N6O — CID 22018781

IUPAC2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol
SMILESOc1cccnc1CNCc1ccc(CNC2CCCCC2NCc2ncc[nH]2)cc1
InChIInChI=1S/C24H32N6O/c31-23-6-3-11-26-22(23)16-25-14-18-7-9-19(10-8-18)15-29-20-4-1-2-5-21(20)30-17-24-27-12-13-28-24/h3,6-13,20-21,25,29-31H,1-2,4-5,14-17H2,(H,27,28)
InChIKeyOCXIEEWELICWPL-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.99
Rot. Bonds10

About 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol

2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol (PubChem CID 22018781) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol
PubChem CID22018781
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol
SMILESOc1cccnc1CNCc1ccc(CNC2CCCCC2NCc2ncc[nH]2)cc1
InChIInChI=1S/C24H32N6O/c31-23-6-3-11-26-22(23)16-25-14-18-7-9-19(10-8-18)15-29-20-4-1-2-5-21(20)30-17-24-27-12-13-28-24/h3,6-13,20-21,25,29-31H,1-2,4-5,14-17H2,(H,27,28)
InChIKeyOCXIEEWELICWPL-UHFFFAOYSA-N
XLogP2.99
TPSA97.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol with MolForge

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Related Compounds

2-[[[4-[[[(1S,2R)-2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol;hydrobromide
CID 69328462
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 94247341
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
2-[[[4-[2-[(2R)-2'-(1H-benzimidazol-2-ylmethylamino)spiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]-1-yl]ethyl]phenyl]methylamino]methyl]pyridin-3-ol
CID 163718781
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride
CID 115618879
1-[4-(azepan-1-ylmethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111673
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
3-[(1H-imidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 64548372
4-[[[(2R)-2-[(3,4-dihydroxyphenyl)methylamino]cyclohexyl]amino]methyl]benzene-1,2-diol
CID 24750954
2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride
CID 115618877

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol (CID 22018781) is 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol is Oc1cccnc1CNCc1ccc(CNC2CCCCC2NCc2ncc[nH]2)cc1.
What is the InChIKey of 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol?
The InChIKey is OCXIEEWELICWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c31-23-6-3-11-26-22(23)16-25-14-18-7-9-19(10-8-18)15-29-20-4-1-2-5-21(20)30-17-24-27-12-13-28-24/h3,6-13,20-21,25,29-31H,1-2,4-5,14-17H2,(H,27,28).
What are the key properties of 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol?
2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol has a molecular weight of 420.56 g/mol, XLogP of 2.99, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 22018781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).