N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide

C21H27N5OS — CID 60567418

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2nc3ccccc3n2CCN(CC)CC)ccn1
InChIInChI=1S/C21H27N5OS/c1-4-25(5-2)13-14-26-18-10-8-7-9-17(18)23-21(26)24-20(27)16-11-12-22-19(15-16)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,24,27)
InChIKeyBLEBEYXUHFVVKD-UHFFFAOYSA-N
MW397.55 g/mol
LogP4.14
Rot. Bonds9

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide (PubChem CID 60567418) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide
PubChem CID60567418
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2nc3ccccc3n2CCN(CC)CC)ccn1
InChIInChI=1S/C21H27N5OS/c1-4-25(5-2)13-14-26-18-10-8-7-9-17(18)23-21(26)24-20(27)16-11-12-22-19(15-16)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,24,27)
InChIKeyBLEBEYXUHFVVKD-UHFFFAOYSA-N
XLogP4.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
CID 60567449
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55365598
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112807743
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide (CID 60567418) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide is CCSc1cc(C(=O)Nc2nc3ccccc3n2CCN(CC)CC)ccn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide?
The InChIKey is BLEBEYXUHFVVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-4-25(5-2)13-14-26-18-10-8-7-9-17(18)23-21(26)24-20(27)16-11-12-22-19(15-16)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,24,27).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 60567418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).