6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride

C23H22ClN5O2 — CID 162651977

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride
SMILESCOc1cc(-c2nc3ccc(C4=NCCN4)cc3[nH]2)ccc1OCc1ccccn1.Cl
InChIInChI=1S/C23H21N5O2.ClH/c1-29-21-13-16(6-8-20(21)30-14-17-4-2-3-9-24-17)23-27-18-7-5-15(12-19(18)28-23)22-25-10-11-26-22;/h2-9,12-13H,10-11,14H2,1H3,(H,25,26)(H,27,28);1H
InChIKeyCJISRAWMUNADKJ-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.98
Rot. Bonds6

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride (PubChem CID 162651977) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride
PubChem CID162651977
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride
SMILESCOc1cc(-c2nc3ccc(C4=NCCN4)cc3[nH]2)ccc1OCc1ccccn1.Cl
InChIInChI=1S/C23H21N5O2.ClH/c1-29-21-13-16(6-8-20(21)30-14-17-4-2-3-9-24-17)23-27-18-7-5-15(12-19(18)28-23)22-25-10-11-26-22;/h2-9,12-13H,10-11,14H2,1H3,(H,25,26)(H,27,28);1H
InChIKeyCJISRAWMUNADKJ-UHFFFAOYSA-N
XLogP3.98
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride (CID 162651977) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride is COc1cc(-c2nc3ccc(C4=NCCN4)cc3[nH]2)ccc1OCc1ccccn1.Cl.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride?
The InChIKey is CJISRAWMUNADKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2.ClH/c1-29-21-13-16(6-8-20(21)30-14-17-4-2-3-9-24-17)23-27-18-7-5-15(12-19(18)28-23)22-25-10-11-26-22;/h2-9,12-13H,10-11,14H2,1H3,(H,25,26)(H,27,28);1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride has a molecular weight of 435.92 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 162651977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).