ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane

C29H40N6O3 — CID 142995950

IUPACethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane
SMILESCC.CCC.CCOC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C24H26N6O3.C3H8.C2H6/c1-4-32-24(31)29-23-27-21-13-17(16-6-5-8-25-15-16)12-19(22(21)28-23)20-14-18(7-9-26-20)33-11-10-30(2)3;1-3-2;1-2/h5-9,12-15H,4,10-11H2,1-3H3,(H2,27,28,29,31);3H2,1-2H3;1-2H3
InChIKeyVEEFPOWGZZKOIX-UHFFFAOYSA-N
MW520.68 g/mol
LogP6.64
Rot. Bonds8

About ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane

ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane (PubChem CID 142995950) has the molecular formula C29H40N6O3 and a molecular weight of 520.68 g/mol. Its IUPAC name is ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane.

Molecular Properties

Compound Nameethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane
PubChem CID142995950
Molecular FormulaC29H40N6O3
Molecular Weight520.68 g/mol
Exact Mass520.32
IUPAC Nameethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane
SMILESCC.CCC.CCOC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C24H26N6O3.C3H8.C2H6/c1-4-32-24(31)29-23-27-21-13-17(16-6-5-8-25-15-16)12-19(22(21)28-23)20-14-18(7-9-26-20)33-11-10-30(2)3;1-3-2;1-2/h5-9,12-15H,4,10-11H2,1-3H3,(H2,27,28,29,31);3H2,1-2H3;1-2H3
InChIKeyVEEFPOWGZZKOIX-UHFFFAOYSA-N
XLogP6.64
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane with MolForge

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Related Compounds

ethyl N-[6-[6-[[bis(2-methoxyethyl)amino]methyl]-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 11191338
1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 67764910
ethyl N-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 88883631
ethyl N-[6-[6-[[2-[ethyl(propanoyl)amino]ethyl-methylamino]methyl]-3-pyridinyl]-4-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-yl]carbamate
CID 70995480
CID 89324885
CID 89324885
1-ethyl-3-[4-[3-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 44601215
1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 71232480
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamate
CID 54673896
1-ethyl-3-(4-phenylmethoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 21366049
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 54674042
ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 160854815
ethyl N-[6-[6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 160531217

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane?
The IUPAC name of ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane (CID 142995950) is ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane.
What is the SMILES notation for ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane?
The canonical SMILES for ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane is CC.CCC.CCOC(=O)Nc1nc2c(-c3cc(OCCN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane?
The InChIKey is VEEFPOWGZZKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3.C3H8.C2H6/c1-4-32-24(31)29-23-27-21-13-17(16-6-5-8-25-15-16)12-19(22(21)28-23)20-14-18(7-9-26-20)33-11-10-30(2)3;1-3-2;1-2/h5-9,12-15H,4,10-11H2,1-3H3,(H2,27,28,29,31);3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane?
ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane has a molecular weight of 520.68 g/mol, XLogP of 6.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;propane is sourced from PubChem (CID 142995950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).