4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide

C20H22N4O2 — CID 126452002

IUPAC4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
SMILESCN1CCO[C@H](CNC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C20H22N4O2/c1-24-10-11-26-16(13-24)12-21-20(25)15-8-6-14(7-9-15)19-22-17-4-2-3-5-18(17)23-19/h2-9,16H,10-13H2,1H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyVWOQLJBIHULLFH-MRXNPFEDSA-N
MW350.42 g/mol
LogP2.29
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide

4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide (PubChem CID 126452002) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
PubChem CID126452002
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
SMILESCN1CCO[C@H](CNC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C20H22N4O2/c1-24-10-11-26-16(13-24)12-21-20(25)15-8-6-14(7-9-15)19-22-17-4-2-3-5-18(17)23-19/h2-9,16H,10-13H2,1H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyVWOQLJBIHULLFH-MRXNPFEDSA-N
XLogP2.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
CID 100577552
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 3689763
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 142177144
4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine
CID 142176901
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide (CID 126452002) is 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide is CN1CCO[C@H](CNC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
The InChIKey is VWOQLJBIHULLFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24-10-11-26-16(13-24)12-21-20(25)15-8-6-14(7-9-15)19-22-17-4-2-3-5-18(17)23-19/h2-9,16H,10-13H2,1H3,(H,21,25)(H,22,23)/t16-/m1/s1.
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide?
4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 126452002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).