N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide

C19H24N6O2 — CID 58269549

IUPACN-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide
SMILESCc1cc(C2CCN(C(=O)c3ncc[nH]3)CC2)c(C)cc1C(=O)N=C(N)N
InChIInChI=1S/C19H24N6O2/c1-11-10-15(17(26)24-19(20)21)12(2)9-14(11)13-3-7-25(8-4-13)18(27)16-22-5-6-23-16/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,22,23)(H4,20,21,24,26)
InChIKeyNRHBJSFFZBABET-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.46
Rot. Bonds3

About N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide

N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide (PubChem CID 58269549) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide
PubChem CID58269549
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide
SMILESCc1cc(C2CCN(C(=O)c3ncc[nH]3)CC2)c(C)cc1C(=O)N=C(N)N
InChIInChI=1S/C19H24N6O2/c1-11-10-15(17(26)24-19(20)21)12(2)9-14(11)13-3-7-25(8-4-13)18(27)16-22-5-6-23-16/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,22,23)(H4,20,21,24,26)
InChIKeyNRHBJSFFZBABET-UHFFFAOYSA-N
XLogP1.46
TPSA130.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide (CID 58269549) is N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide is Cc1cc(C2CCN(C(=O)c3ncc[nH]3)CC2)c(C)cc1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide?
The InChIKey is NRHBJSFFZBABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11-10-15(17(26)24-19(20)21)12(2)9-14(11)13-3-7-25(8-4-13)18(27)16-22-5-6-23-16/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,22,23)(H4,20,21,24,26).
What are the key properties of N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide?
N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-[1-(1H-imidazole-2-carbonyl)piperidin-4-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 58269549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).