2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen

C23H25N5O — CID 143625133

IUPAC2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen
SMILESCC(NC(=O)Cn1cnc2cccc(C#N)c21)C1=CC=C(C(C)(C)C#N)C2CC12.[H][H]
InChIInChI=1S/C23H23N5O.H2/c1-14(16-7-8-19(18-9-17(16)18)23(2,3)12-25)27-21(29)11-28-13-26-20-6-4-5-15(10-24)22(20)28;/h4-8,13-14,17-18H,9,11H2,1-3H3,(H,27,29);1H
InChIKeyMCXRDYMVNFAAAE-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.71
Rot. Bonds5

About 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen

2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen (PubChem CID 143625133) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen
PubChem CID143625133
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen
SMILESCC(NC(=O)Cn1cnc2cccc(C#N)c21)C1=CC=C(C(C)(C)C#N)C2CC12.[H][H]
InChIInChI=1S/C23H23N5O.H2/c1-14(16-7-8-19(18-9-17(16)18)23(2,3)12-25)27-21(29)11-28-13-26-20-6-4-5-15(10-24)22(20)28;/h4-8,13-14,17-18H,9,11H2,1-3H3,(H,27,29);1H
InChIKeyMCXRDYMVNFAAAE-UHFFFAOYSA-N
XLogP3.71
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen with MolForge

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Related Compounds

2-(7-cyanobenzimidazol-1-yl)-N-[(1S)-1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide
CID 24850433
N-[1-(4-tert-butylphenyl)ethyl]-2-(7-cyanobenzimidazol-1-yl)acetamide;N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
CID 69064572
2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[(1S)-1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]acetamide
CID 24850475
2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]ethyl]acetamide
CID 24850172
N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide
CID 71125104
N-[1-(5-tert-butyl-2-pyridinyl)ethyl]-2-(7-fluorobenzimidazol-1-yl)acetamide
CID 23633745
2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide
CID 69264751
3-(2-oxoethyl)benzimidazole-4-carbonitrile
CID 143625145
N-[1-[4-[chloro(difluoro)methyl]phenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633531
2-(7-nitrobenzimidazol-1-yl)-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethyl]acetamide
CID 23633746
2-(7-nitrobenzimidazol-1-yl)-N-[1-(5-propan-2-yloxy-2-pyridinyl)ethyl]acetamide
CID 23633741
N-[1-[4-[(2S)-but-3-yn-2-yl]oxyphenyl]ethyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 23633529

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen?
The IUPAC name of 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen (CID 143625133) is 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen is CC(NC(=O)Cn1cnc2cccc(C#N)c21)C1=CC=C(C(C)(C)C#N)C2CC12.[H][H].
What is the InChIKey of 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen?
The InChIKey is MCXRDYMVNFAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.H2/c1-14(16-7-8-19(18-9-17(16)18)23(2,3)12-25)27-21(29)11-28-13-26-20-6-4-5-15(10-24)22(20)28;/h4-8,13-14,17-18H,9,11H2,1-3H3,(H,27,29);1H.
What are the key properties of 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen?
2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen has a molecular weight of 387.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyanobenzimidazol-1-yl)-N-[1-[5-(2-cyanopropan-2-yl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]ethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 143625133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).