N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide

C20H18N4O — CID 71875149

IUPACN-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CCC1
InChIInChI=1S/C20H18N4O/c21-13-20(10-3-11-20)19(25)22-12-14-6-8-15(9-7-14)18-23-16-4-1-2-5-17(16)24-18/h1-2,4-9H,3,10-12H2,(H,22,25)(H,23,24)
InChIKeyIJGNVFUFZFYWTL-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.54
Rot. Bonds4

About N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide

N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide (PubChem CID 71875149) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide
PubChem CID71875149
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CCC1
InChIInChI=1S/C20H18N4O/c21-13-20(10-3-11-20)19(25)22-12-14-6-8-15(9-7-14)18-23-16-4-1-2-5-17(16)24-18/h1-2,4-9H,3,10-12H2,(H,22,25)(H,23,24)
InChIKeyIJGNVFUFZFYWTL-UHFFFAOYSA-N
XLogP3.54
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975904
N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid
CID 44524509
(2S,5R)-5-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 167837210
3-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119771116
2-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957205
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167313683
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
5-amino-N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-benzyl-3-methylpyrazole-4-carboxamide
CID 154859017

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide (CID 71875149) is N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide is N#CC1(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CCC1.
What is the InChIKey of N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide?
The InChIKey is IJGNVFUFZFYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c21-13-20(10-3-11-20)19(25)22-12-14-6-8-15(9-7-14)18-23-16-4-1-2-5-17(16)24-18/h1-2,4-9H,3,10-12H2,(H,22,25)(H,23,24).
What are the key properties of N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide?
N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 71875149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).