2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

C24H25N5O2 — CID 46881530

IUPAC2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C24H25N5O2/c30-22(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,15,22,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t22-/m0/s1
InChIKeyVLJQWCRIKPDSPC-QFIPXVFZSA-N
MW415.50 g/mol
LogP3.00
Rot. Bonds9

About 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 46881530) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
PubChem CID46881530
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C24H25N5O2/c30-22(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,15,22,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t22-/m0/s1
InChIKeyVLJQWCRIKPDSPC-QFIPXVFZSA-N
XLogP3.00
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (CID 46881530) is 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is O=C(Cc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is VLJQWCRIKPDSPC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-22(18-4-3-12-25-15-18)16-26-13-11-17-7-9-19(10-8-17)27-24(31)14-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,15,22,26,30H,11,13-14,16H2,(H,27,31)(H,28,29)/t22-/m0/s1.
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.00, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 46881530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).