6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide

C11H13N3O2 — CID 157021510

IUPAC6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCOc1cc2nc[nH]c2cc1C(=O)N(C)C
InChIInChI=1S/C11H13N3O2/c1-14(2)11(15)7-4-8-9(13-6-12-8)5-10(7)16-3/h4-6H,1-3H3,(H,12,13)
InChIKeyHRULBXKXNPVLPZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.27
Rot. Bonds2

About 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide

6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide (PubChem CID 157021510) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
PubChem CID157021510
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCOc1cc2nc[nH]c2cc1C(=O)N(C)C
InChIInChI=1S/C11H13N3O2/c1-14(2)11(15)7-4-8-9(13-6-12-8)5-10(7)16-3/h4-6H,1-3H3,(H,12,13)
InChIKeyHRULBXKXNPVLPZ-UHFFFAOYSA-N
XLogP1.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
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CID 130781668
2,4-dimethoxy-N,N-dimethyl-5-sulfamoylbenzamide
CID 65373113
6-methylsulfanyl-3H-benzimidazole-5-carbonyl chloride
CID 130999826
4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
CID 69030302
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide (CID 157021510) is 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide is COc1cc2nc[nH]c2cc1C(=O)N(C)C.
What is the InChIKey of 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is HRULBXKXNPVLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-14(2)11(15)7-4-8-9(13-6-12-8)5-10(7)16-3/h4-6H,1-3H3,(H,12,13).
What are the key properties of 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 157021510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).