(6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol

C17H17N3O — CID 144879779

IUPAC(6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol
SMILESC/C=c1\c(=C/CC)c(O)cc2[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C17H17N3O/c1-3-6-13-12(4-2)16-14(9-15(13)21)19-17(20-16)11-7-5-8-18-10-11/h4-10,21H,3H2,1-2H3,(H,19,20)/b12-4+,13-6+
InChIKeyVDZOYJPASVRPQO-HITCCNIDSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds2

About (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol

(6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol (PubChem CID 144879779) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name(6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol
PubChem CID144879779
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol
SMILESC/C=c1\c(=C/CC)c(O)cc2[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C17H17N3O/c1-3-6-13-12(4-2)16-14(9-15(13)21)19-17(20-16)11-7-5-8-18-10-11/h4-10,21H,3H2,1-2H3,(H,19,20)/b12-4+,13-6+
InChIKeyVDZOYJPASVRPQO-HITCCNIDSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946985
7-bromo-2-pyridin-3-yl-3H-imidazo[4,5-c]quinoline
CID 57394265
6-methyl-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79015085
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 63611953
N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 154759721
5-methyl-2-pyridin-3-yl-1H-imidazole-4-carbohydrazide
CID 68635306
1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one
CID 13387933
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one
CID 135638352

Frequently Asked Questions

What is the IUPAC name of (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol?
The IUPAC name of (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol (CID 144879779) is (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol.
What is the SMILES notation for (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol?
The canonical SMILES for (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol is C/C=c1\c(=C/CC)c(O)cc2[nH]c(-c3cccnc3)nc12.
What is the InChIKey of (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol?
The InChIKey is VDZOYJPASVRPQO-HITCCNIDSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-6-13-12(4-2)16-14(9-15(13)21)19-17(20-16)11-7-5-8-18-10-11/h4-10,21H,3H2,1-2H3,(H,19,20)/b12-4+,13-6+.
What are the key properties of (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol?
(6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol has a molecular weight of 279.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7E)-7-ethylidene-6-propylidene-2-pyridin-3-yl-3H-benzimidazol-5-ol is sourced from PubChem (CID 144879779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).