N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine

C20H17ClN4 — CID 133360495

IUPACN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine
SMILESClc1cc(NCc2ccc(Cn3cnc4ccccc43)cc2)ccn1
InChIInChI=1S/C20H17ClN4/c21-20-11-17(9-10-22-20)23-12-15-5-7-16(8-6-15)13-25-14-24-18-3-1-2-4-19(18)25/h1-11,14H,12-13H2,(H,22,23)
InChIKeyRAECNGKBGUOPLP-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.75
Rot. Bonds5

About N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine (PubChem CID 133360495) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine
PubChem CID133360495
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine
SMILESClc1cc(NCc2ccc(Cn3cnc4ccccc43)cc2)ccn1
InChIInChI=1S/C20H17ClN4/c21-20-11-17(9-10-22-20)23-12-15-5-7-16(8-6-15)13-25-14-24-18-3-1-2-4-19(18)25/h1-11,14H,12-13H2,(H,22,23)
InChIKeyRAECNGKBGUOPLP-UHFFFAOYSA-N
XLogP4.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
4-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62466505
3-(benzimidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 75385402
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80524115
2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80523929
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine?
The IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine (CID 133360495) is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine.
What is the SMILES notation for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine?
The canonical SMILES for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine is Clc1cc(NCc2ccc(Cn3cnc4ccccc43)cc2)ccn1.
What is the InChIKey of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine?
The InChIKey is RAECNGKBGUOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c21-20-11-17(9-10-22-20)23-12-15-5-7-16(8-6-15)13-25-14-24-18-3-1-2-4-19(18)25/h1-11,14H,12-13H2,(H,22,23).
What are the key properties of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine?
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine has a molecular weight of 348.84 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine is sourced from PubChem (CID 133360495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).