N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C19H25N3O2 — CID 164639781

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1cccc2[nH]c(COCC(=O)N[C@@H](C)C3=CCCCC3)nc12
InChIInChI=1S/C19H25N3O2/c1-13-7-6-10-16-19(13)22-17(21-16)11-24-12-18(23)20-14(2)15-8-4-3-5-9-15/h6-8,10,14H,3-5,9,11-12H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeySROUGVXGKQWWRA-AWEZNQCLSA-N
MW327.43 g/mol
LogP3.39
Rot. Bonds6

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 164639781) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID164639781
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1cccc2[nH]c(COCC(=O)N[C@@H](C)C3=CCCCC3)nc12
InChIInChI=1S/C19H25N3O2/c1-13-7-6-10-16-19(13)22-17(21-16)11-24-12-18(23)20-14(2)15-8-4-3-5-9-15/h6-8,10,14H,3-5,9,11-12H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeySROUGVXGKQWWRA-AWEZNQCLSA-N
XLogP3.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(acetylamino)-5-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 763483
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
CID 4233329
N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 809513
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(methoxymethyl)-1H-1,3-benzodiazol-1-yl]acetamide
CID 9550571
3-(1H-benzimidazol-2-yl)-4-[[4-(2-methoxyethylamino)cyclohexyl]amino]-1H-pyridin-2-one
CID 137175063
N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-phenyl-acrylamide
CID 732149
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide
CID 4753703
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
CID 4882839
N-{4-[2-(1H-Benzoimidazol-2-yl)-ethyl]-phenyl}-acetamide
CID 6487086
ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate
CID 16810437
N-Allyl-2-[4-(5,6-dimethyl-1H-benzoimidazol-2-yl)-piperidin-1-yl]-acetamide
CID 24761073
Ethanone, 2-(4-methyl-2-benzimidazolylthio)-1-(4-morpholyl)-
CID 596425

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 164639781) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1cccc2[nH]c(COCC(=O)N[C@@H](C)C3=CCCCC3)nc12.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is SROUGVXGKQWWRA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-7-6-10-16-19(13)22-17(21-16)11-24-12-18(23)20-14(2)15-8-4-3-5-9-15/h6-8,10,14H,3-5,9,11-12H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 164639781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).