(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide

C16H23N3O2 — CID 125170749

IUPAC(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
SMILESCCCO[C@H](C)C(=O)NCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-5-6-21-12(4)16(20)17-9-15-18-13-7-10(2)11(3)8-14(13)19-15/h7-8,12H,5-6,9H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyQYGYRBHNNOSTGQ-GFCCVEGCSA-N
MW289.38 g/mol
LogP2.61
Rot. Bonds6

About (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide

(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide (PubChem CID 125170749) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
PubChem CID125170749
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
SMILESCCCO[C@H](C)C(=O)NCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-5-6-21-12(4)16(20)17-9-15-18-13-7-10(2)11(3)8-14(13)19-15/h7-8,12H,5-6,9H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyQYGYRBHNNOSTGQ-GFCCVEGCSA-N
XLogP2.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea
CID 121496596
2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
CID 120991479
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 56744624
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 86285918
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-ethoxypropanamide
CID 126428098
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 86287334
2-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 86283902
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95229565

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide?
The IUPAC name of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide (CID 125170749) is (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide.
What is the SMILES notation for (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide?
The canonical SMILES for (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide is CCCO[C@H](C)C(=O)NCc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide?
The InChIKey is QYGYRBHNNOSTGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-6-21-12(4)16(20)17-9-15-18-13-7-10(2)11(3)8-14(13)19-15/h7-8,12H,5-6,9H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide?
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide is sourced from PubChem (CID 125170749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).