N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide

C13H13N5O — CID 86283854

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1cnc[nH]1
InChIInChI=1S/C13H13N5O/c1-18(13(19)11-6-14-8-15-11)7-12-16-9-4-2-3-5-10(9)17-12/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBYMFFOZRTIAMRO-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.56
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 86283854) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
PubChem CID86283854
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1cnc[nH]1
InChIInChI=1S/C13H13N5O/c1-18(13(19)11-6-14-8-15-11)7-12-16-9-4-2-3-5-10(9)17-12/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBYMFFOZRTIAMRO-UHFFFAOYSA-N
XLogP1.56
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
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N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
CID 110467360
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467875
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
CID 154841203
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55823818
3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95767867
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide (CID 86283854) is N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide is CN(Cc1nc2ccccc2[nH]1)C(=O)c1cnc[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is BYMFFOZRTIAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18(13(19)11-6-14-8-15-11)7-12-16-9-4-2-3-5-10(9)17-12/h2-6,8H,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 86283854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).