4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

C20H19N7 — CID 155346668

IUPAC4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESC=NCc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc21
InChIInChI=1S/C20H19N7/c1-21-12-16-13-24-20(23-11-8-15-6-9-22-10-7-15)26-19(16)27-14-25-17-4-2-3-5-18(17)27/h2-7,9-10,13-14H,1,8,11-12H2,(H,23,24,26)
InChIKeyKGZHPJCXJNGKCZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.07
Rot. Bonds7

About 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (PubChem CID 155346668) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
PubChem CID155346668
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESC=NCc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc21
InChIInChI=1S/C20H19N7/c1-21-12-16-13-24-20(23-11-8-15-6-9-22-10-7-15)26-19(16)27-14-25-17-4-2-3-5-18(17)27/h2-7,9-10,13-14H,1,8,11-12H2,(H,23,24,26)
InChIKeyKGZHPJCXJNGKCZ-UHFFFAOYSA-N
XLogP3.07
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 129086038
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
2-[[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]amino]acetaldehyde
CID 146243949
4-(benzimidazol-1-yl)-2-(2-pyridin-4-ylethoxy)pyrimidine-5-carbonitrile
CID 140903638
N-(2-phenylethyl)-4-(5-pyrimidin-5-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 70112792
2-(benzimidazol-1-yl)-9-(pyridin-4-ylmethyl)purine
CID 59846385
4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 70111772
4-(benzimidazol-1-yl)-N-(2-bicyclo[1.1.1]pentanyl)-5-(methyliminomethyl)pyrimidin-2-amine
CID 147214755
6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine
CID 68921119
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
4-(benzimidazol-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 70003536
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (CID 155346668) is 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is C=NCc1cnc(NCCc2ccncc2)nc1-n1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is KGZHPJCXJNGKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-21-12-16-13-24-20(23-11-8-15-6-9-22-10-7-15)26-19(16)27-14-25-17-4-2-3-5-18(17)27/h2-7,9-10,13-14H,1,8,11-12H2,(H,23,24,26).
What are the key properties of 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-5-[(methylideneamino)methyl]-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 155346668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).