N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide

C12H14N4O — CID 43594956

IUPACN-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
SMILESNC1CC(NC(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C12H14N4O/c13-8-4-9(5-8)16-12(17)7-1-2-10-11(3-7)15-6-14-10/h1-3,6,8-9H,4-5,13H2,(H,14,15)(H,16,17)
InChIKeyKTYGJNJYMJKHBO-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.78
Rot. Bonds2

About N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide

N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide (PubChem CID 43594956) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
PubChem CID43594956
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
SMILESNC1CC(NC(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C12H14N4O/c13-8-4-9(5-8)16-12(17)7-1-2-10-11(3-7)15-6-14-10/h1-3,6,8-9H,4-5,13H2,(H,14,15)(H,16,17)
InChIKeyKTYGJNJYMJKHBO-UHFFFAOYSA-N
XLogP0.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
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N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119475237
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
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N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
CID 111697069
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
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CID 162475309

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide (CID 43594956) is N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide is NC1CC(NC(=O)c2ccc3nc[nH]c3c2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is KTYGJNJYMJKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-8-4-9(5-8)16-12(17)7-1-2-10-11(3-7)15-6-14-10/h1-3,6,8-9H,4-5,13H2,(H,14,15)(H,16,17).
What are the key properties of N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide?
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 43594956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).