N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide

C18H16N6O — CID 47051749

IUPACN-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCn1c(NC(=O)c2ccnc(-n3ccnc3)c2)nc2ccccc21
InChIInChI=1S/C18H16N6O/c1-2-24-15-6-4-3-5-14(15)21-18(24)22-17(25)13-7-8-20-16(11-13)23-10-9-19-12-23/h3-12H,2H2,1H3,(H,21,22,25)
InChIKeyCYYZWONPPOPVAG-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.89
Rot. Bonds4

About N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 47051749) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID47051749
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCn1c(NC(=O)c2ccnc(-n3ccnc3)c2)nc2ccccc21
InChIInChI=1S/C18H16N6O/c1-2-24-15-6-4-3-5-14(15)21-18(24)22-17(25)13-7-8-20-16(11-13)23-10-9-19-12-23/h3-12H,2H2,1H3,(H,21,22,25)
InChIKeyCYYZWONPPOPVAG-UHFFFAOYSA-N
XLogP2.89
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 47051749) is N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide is CCn1c(NC(=O)c2ccnc(-n3ccnc3)c2)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is CYYZWONPPOPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-24-15-6-4-3-5-14(15)21-18(24)22-17(25)13-7-8-20-16(11-13)23-10-9-19-12-23/h3-12H,2H2,1H3,(H,21,22,25).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 47051749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).