N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

C18H15ClN6 — CID 154859288

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCc2nc3ccc(Cl)cc3[nH]2)cc(-c2ccccn2)n1
InChIInChI=1S/C18H15ClN6/c1-11-22-16(13-4-2-3-7-20-13)9-17(23-11)21-10-18-24-14-6-5-12(19)8-15(14)25-18/h2-9H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQDOXAEQODSCFDA-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.99
Rot. Bonds4

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 154859288) has the molecular formula C18H15ClN6 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID154859288
Molecular FormulaC18H15ClN6
Molecular Weight350.81 g/mol
Exact Mass350.10
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCc2nc3ccc(Cl)cc3[nH]2)cc(-c2ccccn2)n1
InChIInChI=1S/C18H15ClN6/c1-11-22-16(13-4-2-3-7-20-13)9-17(23-11)21-10-18-24-14-6-5-12(19)8-15(14)25-18/h2-9H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQDOXAEQODSCFDA-UHFFFAOYSA-N
XLogP3.99
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
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CID 75510403
(2R)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 95203794
1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
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N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 154870329
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
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2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
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6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 118482444
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 71543431
N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (CID 154859288) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is Cc1nc(NCc2nc3ccc(Cl)cc3[nH]2)cc(-c2ccccn2)n1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is QDOXAEQODSCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6/c1-11-22-16(13-4-2-3-7-20-13)9-17(23-11)21-10-18-24-14-6-5-12(19)8-15(14)25-18/h2-9H,10H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 350.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 154859288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).