[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol

C23H21N3O3 — CID 125481025

IUPAC[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
SMILESOCc1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cn3)[nH]c2c1
InChIInChI=1S/C23H21N3O3/c27-13-16-6-8-20-22(10-16)26-23(25-20)21-9-7-19(12-24-21)29-18-3-1-2-17(11-18)28-14-15-4-5-15/h1-3,6-12,15,27H,4-5,13-14H2,(H,25,26)
InChIKeyRICHCLAJNGLFRS-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.70
Rot. Bonds7

About [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol

[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (PubChem CID 125481025) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
PubChem CID125481025
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
SMILESOCc1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cn3)[nH]c2c1
InChIInChI=1S/C23H21N3O3/c27-13-16-6-8-20-22(10-16)26-23(25-20)21-9-7-19(12-24-21)29-18-3-1-2-17(11-18)28-14-15-4-5-15/h1-3,6-12,15,27H,4-5,13-14H2,(H,25,26)
InChIKeyRICHCLAJNGLFRS-UHFFFAOYSA-N
XLogP4.70
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
[1-[3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 71455939
1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164622117
3-[[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-pyridin-4-yl-1H-benzimidazol-4-yl]oxy]propan-1-ol
CID 44129239
2-(chroman-3-yl)-6-(pyridin-4-yl)-1H-benzo[d]imidazole
CID 44563186
2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole
CID 46881928
4-[2-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
CID 46882018
4-[2-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine
CID 46882019
N-(4-(3-(Tetrahydro-2H-pyran-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine
CID 59326822
7-methoxy-N-(4-(3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine
CID 59326854
[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]-3-pyridinyl]piperidin-4-yl]methanol
CID 71454197
6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 70687214

Frequently Asked Questions

What is the IUPAC name of [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol (CID 125481025) is [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is OCc1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cn3)[nH]c2c1.
What is the InChIKey of [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
The InChIKey is RICHCLAJNGLFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-13-16-6-8-20-22(10-16)26-23(25-20)21-9-7-19(12-24-21)29-18-3-1-2-17(11-18)28-14-15-4-5-15/h1-3,6-12,15,27H,4-5,13-14H2,(H,25,26).
What are the key properties of [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol?
[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol has a molecular weight of 387.44 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 125481025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).