1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol

C24H21N7O3 — CID 90782745

IUPAC1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol
SMILESOC(c1nc2ccccc2[nH]1)N(C(O)c1nc2ccccc2[nH]1)C(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21N7O3/c32-22(19-25-13-7-1-2-8-14(13)26-19)31(23(33)20-27-15-9-3-4-10-16(15)28-20)24(34)21-29-17-11-5-6-12-18(17)30-21/h1-12,22-24,32-34H,(H,25,26)(H,27,28)(H,29,30)
InChIKeyFRMFGDCBMQSESG-UHFFFAOYSA-N
MW455.48 g/mol
LogP2.99
Rot. Bonds6

About 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol

1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol (PubChem CID 90782745) has the molecular formula C24H21N7O3 and a molecular weight of 455.48 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol
PubChem CID90782745
Molecular FormulaC24H21N7O3
Molecular Weight455.48 g/mol
Exact Mass455.17
IUPAC Name1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol
SMILESOC(c1nc2ccccc2[nH]1)N(C(O)c1nc2ccccc2[nH]1)C(O)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21N7O3/c32-22(19-25-13-7-1-2-8-14(13)26-19)31(23(33)20-27-15-9-3-4-10-16(15)28-20)24(34)21-29-17-11-5-6-12-18(17)30-21/h1-12,22-24,32-34H,(H,25,26)(H,27,28)(H,29,30)
InChIKeyFRMFGDCBMQSESG-UHFFFAOYSA-N
XLogP2.99
TPSA149.97 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 52.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]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 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol?
The IUPAC name of 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol (CID 90782745) is 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol.
What is the SMILES notation for 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol?
The canonical SMILES for 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol is OC(c1nc2ccccc2[nH]1)N(C(O)c1nc2ccccc2[nH]1)C(O)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol?
The InChIKey is FRMFGDCBMQSESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3/c32-22(19-25-13-7-1-2-8-14(13)26-19)31(23(33)20-27-15-9-3-4-10-16(15)28-20)24(34)21-29-17-11-5-6-12-18(17)30-21/h1-12,22-24,32-34H,(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol?
1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol has a molecular weight of 455.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[bis[1H-benzimidazol-2-yl(hydroxy)methyl]amino]methanol is sourced from PubChem (CID 90782745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).