N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide

C21H23N5O2 — CID 126934957

IUPACN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H23N5O2/c27-20-10-9-17(13-1-2-13)25-26(20)16-6-4-15(5-7-16)24-21(28)14-3-8-18-19(11-14)23-12-22-18/h3,8-13,15-16H,1-2,4-7H2,(H,22,23)(H,24,28)
InChIKeyLKEATSNYHDRJRY-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.91
Rot. Bonds4

About N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide (PubChem CID 126934957) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
PubChem CID126934957
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H23N5O2/c27-20-10-9-17(13-1-2-13)25-26(20)16-6-4-15(5-7-16)24-21(28)14-3-8-18-19(11-14)23-12-22-18/h3,8-13,15-16H,1-2,4-7H2,(H,22,23)(H,24,28)
InChIKeyLKEATSNYHDRJRY-UHFFFAOYSA-N
XLogP2.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126935209
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126936608
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide (CID 126934957) is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LKEATSNYHDRJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-10-9-17(13-1-2-13)25-26(20)16-6-4-15(5-7-16)24-21(28)14-3-8-18-19(11-14)23-12-22-18/h3,8-13,15-16H,1-2,4-7H2,(H,22,23)(H,24,28).
What are the key properties of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 126934957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).