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

C15H17N5O — CID 86285918

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCc1cc2nc(CNC(=O)Cc3cnc[nH]3)[nH]c2cc1C
InChIInChI=1S/C15H17N5O/c1-9-3-12-13(4-10(9)2)20-14(19-12)7-17-15(21)5-11-6-16-8-18-11/h3-4,6,8H,5,7H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyPEVLDHNKNKAAGA-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds4

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

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 86285918) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID86285918
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCc1cc2nc(CNC(=O)Cc3cnc[nH]3)[nH]c2cc1C
InChIInChI=1S/C15H17N5O/c1-9-3-12-13(4-10(9)2)20-14(19-12)7-17-15(21)5-11-6-16-8-18-11/h3-4,6,8H,5,7H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyPEVLDHNKNKAAGA-UHFFFAOYSA-N
XLogP1.76
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
CID 91572909
1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea
CID 121496596
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
CID 125170749
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 86287334
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 56744624
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 118786104
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135091789
2-(1H-imidazol-5-yl)-N-(2-methylphenyl)acetamide
CID 110684137
N-[3-(dimethylamino)propyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684062

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide (CID 86285918) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide is Cc1cc2nc(CNC(=O)Cc3cnc[nH]3)[nH]c2cc1C.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is PEVLDHNKNKAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-3-12-13(4-10(9)2)20-14(19-12)7-17-15(21)5-11-6-16-8-18-11/h3-4,6,8H,5,7H2,1-2H3,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 86285918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).