N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide

C19H20ClN3O2 — CID 52515056

IUPACN-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-12(21-13(2)24)19-22-16-9-5-6-10-17(16)23(19)11-18(25)14-7-3-4-8-15(14)20/h3-10,12,18,25H,11H2,1-2H3,(H,21,24)/t12-,18+/m0/s1
InChIKeyKIDCMXUCDQNIAO-KPZWWZAWSA-N
MW357.84 g/mol
LogP3.62
Rot. Bonds5

About N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide

N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 52515056) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID52515056
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-12(21-13(2)24)19-22-16-9-5-6-10-17(16)23(19)11-18(25)14-7-3-4-8-15(14)20/h3-10,12,18,25H,11H2,1-2H3,(H,21,24)/t12-,18+/m0/s1
InChIKeyKIDCMXUCDQNIAO-KPZWWZAWSA-N
XLogP3.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide (CID 52515056) is N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is KIDCMXUCDQNIAO-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12(21-13(2)24)19-22-16-9-5-6-10-17(16)23(19)11-18(25)14-7-3-4-8-15(14)20/h3-10,12,18,25H,11H2,1-2H3,(H,21,24)/t12-,18+/m0/s1.
What are the key properties of N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide?
N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 357.84 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 52515056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).