(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine

C17H18N4 — CID 153382936

IUPAC(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=c1ccc(-c2cc3nc(C)[nH]c3cn2)c/c1=C/N(C)C
InChIInChI=1S/C17H18N4/c1-11-5-6-13(7-14(11)10-21(3)4)15-8-16-17(9-18-15)20-12(2)19-16/h5-10H,1H2,2-4H3,(H,19,20)/b14-10-
InChIKeyZOLGAUTWOKJOCG-UVTDQMKNSA-N
MW278.36 g/mol
LogP1.64
Rot. Bonds2

About (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine

(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 153382936) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID153382936
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=c1ccc(-c2cc3nc(C)[nH]c3cn2)c/c1=C/N(C)C
InChIInChI=1S/C17H18N4/c1-11-5-6-13(7-14(11)10-21(3)4)15-8-16-17(9-18-15)20-12(2)19-16/h5-10H,1H2,2-4H3,(H,19,20)/b14-10-
InChIKeyZOLGAUTWOKJOCG-UVTDQMKNSA-N
XLogP1.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine with MolForge

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Related Compounds

(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine
CID 153382935
(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 142492328
N,N-dimethyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine
CID 122567575
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2-methyl-6-(methylsulfanylmethyl)-3H-imidazo[4,5-c]pyridine
CID 146855352
2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
CID 144506658
6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium
CID 58690905
6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
CID 116897385
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine (CID 153382936) is (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine is C=c1ccc(-c2cc3nc(C)[nH]c3cn2)c/c1=C/N(C)C.
What is the InChIKey of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is ZOLGAUTWOKJOCG-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-5-6-13(7-14(11)10-21(3)4)15-8-16-17(9-18-15)20-12(2)19-16/h5-10H,1H2,2-4H3,(H,19,20)/b14-10-.
What are the key properties of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine?
(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 278.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 153382936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).