[1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol

C26H32N6O2 — CID 118338293

IUPAC[1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol
SMILESOCC1(CO)CCN(c2cc3[nH]cnc3c(-c3ccc4c(c3)ncn4C3CCCCC3)n2)CC1
InChIInChI=1S/C26H32N6O2/c33-14-26(15-34)8-10-31(11-9-26)23-13-21-25(28-16-27-21)24(30-23)18-6-7-22-20(12-18)29-17-32(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,33-34H,1-5,8-11,14-15H2,(H,27,28)
InChIKeyHDXLHIPRXGLAGB-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.05
Rot. Bonds5

About [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol

[1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol (PubChem CID 118338293) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol
PubChem CID118338293
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name[1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol
SMILESOCC1(CO)CCN(c2cc3[nH]cnc3c(-c3ccc4c(c3)ncn4C3CCCCC3)n2)CC1
InChIInChI=1S/C26H32N6O2/c33-14-26(15-34)8-10-31(11-9-26)23-13-21-25(28-16-27-21)24(30-23)18-6-7-22-20(12-18)29-17-32(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,33-34H,1-5,8-11,14-15H2,(H,27,28)
InChIKeyHDXLHIPRXGLAGB-UHFFFAOYSA-N
XLogP4.05
TPSA103.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol (CID 118338293) is [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol is OCC1(CO)CCN(c2cc3[nH]cnc3c(-c3ccc4c(c3)ncn4C3CCCCC3)n2)CC1.
What is the InChIKey of [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol?
The InChIKey is HDXLHIPRXGLAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c33-14-26(15-34)8-10-31(11-9-26)23-13-21-25(28-16-27-21)24(30-23)18-6-7-22-20(12-18)29-17-32(22)19-4-2-1-3-5-19/h6-7,12-13,16-17,19,33-34H,1-5,8-11,14-15H2,(H,27,28).
What are the key properties of [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol?
[1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol has a molecular weight of 460.58 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridin-6-yl]-4-(hydroxymethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 118338293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).