N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide

C12H11N5O — CID 110467519

IUPACN-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3nc[nH]c3c2)[nH]1
InChIInChI=1S/C12H11N5O/c1-7-13-5-11(16-7)12(18)17-8-2-3-9-10(4-8)15-6-14-9/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyRMKVNDYWVHECAS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide

N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 110467519) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
PubChem CID110467519
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc3nc[nH]c3c2)[nH]1
InChIInChI=1S/C12H11N5O/c1-7-13-5-11(16-7)12(18)17-8-2-3-9-10(4-8)15-6-14-9/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyRMKVNDYWVHECAS-UHFFFAOYSA-N
XLogP1.85
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115161081
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2-methyl-N-naphthalen-2-yl-1H-imidazole-5-carboxamide
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N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
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N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide
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N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074
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N-(3H-benzimidazol-5-yl)-5-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 69027419

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide (CID 110467519) is N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc3nc[nH]c3c2)[nH]1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is RMKVNDYWVHECAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-13-5-11(16-7)12(18)17-8-2-3-9-10(4-8)15-6-14-9/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide?
N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).