3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine

C22H26N4 — CID 156650084

IUPAC3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine
SMILESC=C1N(Cc2nc3ccc(C)cc3[nH]2)c2cnccc2C1(CC)CCC
InChIInChI=1S/C22H26N4/c1-5-10-22(6-2)16(4)26(20-13-23-11-9-17(20)22)14-21-24-18-8-7-15(3)12-19(18)25-21/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,24,25)
InChIKeyLPBTZYGPESCWNQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.25
Rot. Bonds5

About 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine

3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine (PubChem CID 156650084) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine
PubChem CID156650084
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine
SMILESC=C1N(Cc2nc3ccc(C)cc3[nH]2)c2cnccc2C1(CC)CCC
InChIInChI=1S/C22H26N4/c1-5-10-22(6-2)16(4)26(20-13-23-11-9-17(20)22)14-21-24-18-8-7-15(3)12-19(18)25-21/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,24,25)
InChIKeyLPBTZYGPESCWNQ-UHFFFAOYSA-N
XLogP5.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

[1-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 171913113
ethane;ethenamine;5-methyl-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-amine
CID 156649699
6-methyl-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)butyl]-1H-benzimidazole
CID 156750965
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole
CID 7425567
1-[[7-chloro-4-[(3E)-penta-1,3-dien-3-yl]isoquinolin-3-yl]methyl]-3-ethyl-3-propylpyrrolo[2,3-c]pyridin-2-one
CID 134305818
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide
CID 171910596
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
ethane;(5R)-5-[4-(2-hydroxyethoxy)phenyl]-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]imidazolidine-2,4-dione
CID 143761721
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine (CID 156650084) is 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine is C=C1N(Cc2nc3ccc(C)cc3[nH]2)c2cnccc2C1(CC)CCC.
What is the InChIKey of 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine?
The InChIKey is LPBTZYGPESCWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-5-10-22(6-2)16(4)26(20-13-23-11-9-17(20)22)14-21-24-18-8-7-15(3)12-19(18)25-21/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,24,25).
What are the key properties of 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine?
3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine has a molecular weight of 346.48 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-methylidene-3-propylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 156650084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).