N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine

C14H13ClN4 — CID 133360211

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine
SMILESCC(Nc1ccnc(Cl)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H13ClN4/c1-9(17-10-6-7-16-13(15)8-10)14-18-11-4-2-3-5-12(11)19-14/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyIFMXSWUPLAMAHY-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine (PubChem CID 133360211) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine
PubChem CID133360211
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine
SMILESCC(Nc1ccnc(Cl)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H13ClN4/c1-9(17-10-6-7-16-13(15)8-10)14-18-11-4-2-3-5-12(11)19-14/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyIFMXSWUPLAMAHY-UHFFFAOYSA-N
XLogP3.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxyaniline
CID 53411479
(1S)-1-(1H-benzimidazol-2-yl)ethanol
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2-propan-2-yl-1H-benzimidazole
CID 22121
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[4-(4-methylphenyl)piperazin-1-yl]aniline
CID 71543447
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241
3-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273070
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
1-(1H-benzimidazol-2-yl)-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106816789
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97184836
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine (CID 133360211) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine is CC(Nc1ccnc(Cl)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine?
The InChIKey is IFMXSWUPLAMAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9(17-10-6-7-16-13(15)8-10)14-18-11-4-2-3-5-12(11)19-14/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridin-4-amine is sourced from PubChem (CID 133360211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).