3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole

C16H15N5O2 — CID 161258178

IUPAC3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
SMILESCOc1nc2ccccc2[nH]1.NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H7N3O.C8H8N2O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6;1-11-8-9-6-4-2-3-5-7(6)10-8/h1-4H,(H2,9,12)(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyVCEZUVHTUIPGHU-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.23
Rot. Bonds2

About 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole

3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole (PubChem CID 161258178) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
PubChem CID161258178
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
SMILESCOc1nc2ccccc2[nH]1.NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C8H7N3O.C8H8N2O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6;1-11-8-9-6-4-2-3-5-7(6)10-8/h1-4H,(H2,9,12)(H,10,11);2-5H,1H3,(H,9,10)
InChIKeyVCEZUVHTUIPGHU-UHFFFAOYSA-N
XLogP2.23
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1H-benzimidazole;methyl carbamate
CID 18504441
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
3-methoxypropyl 3H-benzimidazole-5-carboxylate
CID 126834067
N'-amino-3H-benzimidazole-5-carboximidamide
CID 58433226
N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920
octyl 3H-benzimidazole-5-carboxylate
CID 149159122
4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
CID 175532985
3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
CID 171064601
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 11508555
(3,5-dimethylphenyl) 3H-benzimidazole-5-carboxylate
CID 18847497

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole?
The IUPAC name of 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole (CID 161258178) is 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole.
What is the SMILES notation for 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole?
The canonical SMILES for 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole is COc1nc2ccccc2[nH]1.NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole?
The InChIKey is VCEZUVHTUIPGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O.C8H8N2O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6;1-11-8-9-6-4-2-3-5-7(6)10-8/h1-4H,(H2,9,12)(H,10,11);2-5H,1H3,(H,9,10).
What are the key properties of 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole?
3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole has a molecular weight of 309.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole is sourced from PubChem (CID 161258178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).