[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol

C19H23N3O2 — CID 95217260

IUPAC[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCc1cccc2[nH]c([C@@H]3CCCN(Cc4ccc(CO)o4)C3)nc12
InChIInChI=1S/C19H23N3O2/c1-13-4-2-6-17-18(13)21-19(20-17)14-5-3-9-22(10-14)11-15-7-8-16(12-23)24-15/h2,4,6-8,14,23H,3,5,9-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWMTIYFVTIUUDTP-CQSZACIVSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds4

About [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol

[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 95217260) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID95217260
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCc1cccc2[nH]c([C@@H]3CCCN(Cc4ccc(CO)o4)C3)nc12
InChIInChI=1S/C19H23N3O2/c1-13-4-2-6-17-18(13)21-19(20-17)14-5-3-9-22(10-14)11-15-7-8-16(12-23)24-15/h2,4,6-8,14,23H,3,5,9-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWMTIYFVTIUUDTP-CQSZACIVSA-N
XLogP3.34
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol (CID 95217260) is [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol is Cc1cccc2[nH]c([C@@H]3CCCN(Cc4ccc(CO)o4)C3)nc12.
What is the InChIKey of [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is WMTIYFVTIUUDTP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-4-2-6-17-18(13)21-19(20-17)14-5-3-9-22(10-14)11-15-7-8-16(12-23)24-15/h2,4,6-8,14,23H,3,5,9-12H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 325.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 95217260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).