N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide

C19H25N3O — CID 3975167

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H25N3O/c1-12(16-10-14-7-8-15(16)9-14)20-19(23)11-22-13(2)21-17-5-3-4-6-18(17)22/h3-6,12,14-16H,7-11H2,1-2H3,(H,20,23)
InChIKeyJZZZVLGAKIVPPZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 3975167) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID3975167
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C19H25N3O/c1-12(16-10-14-7-8-15(16)9-14)20-19(23)11-22-13(2)21-17-5-3-4-6-18(17)22/h3-6,12,14-16H,7-11H2,1-2H3,(H,20,23)
InChIKeyJZZZVLGAKIVPPZ-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 98595972
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 98431117
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 98296829
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 98514360
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 110226345
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 98078743
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 129377497
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 129376007
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98287953
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 98078737

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 3975167) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is JZZZVLGAKIVPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-12(16-10-14-7-8-15(16)9-14)20-19(23)11-22-13(2)21-17-5-3-4-6-18(17)22/h3-6,12,14-16H,7-11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 3975167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).