N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine

C20H17N3S — CID 939834

IUPACN-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine
SMILESCc1nc2cc(/N=C/c3cccs3)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H17N3S/c1-15-22-19-12-17(21-13-18-8-5-11-24-18)9-10-20(19)23(15)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3/b21-13+
InChIKeyFIODOGRTKJYQAS-FYJGNVAPSA-N
MW331.44 g/mol
LogP5.21
Rot. Bonds4

About N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine

N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine (PubChem CID 939834) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine
PubChem CID939834
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine
SMILESCc1nc2cc(/N=C/c3cccs3)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H17N3S/c1-15-22-19-12-17(21-13-18-8-5-11-24-18)9-10-20(19)23(15)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3/b21-13+
InChIKeyFIODOGRTKJYQAS-FYJGNVAPSA-N
XLogP5.21
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine
CID 2311839
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
N-(3-methylphenyl)-1-thiophen-2-ylmethanimine
CID 13481551
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole
CID 168525844
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
1-[(1-benzyl-2-methylbenzimidazol-5-yl)amino]-3-chloropropan-2-ol
CID 168637879
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062
5-benzyl-12-methyl-4-thiophen-2-yl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 118159609

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine (CID 939834) is N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine is Cc1nc2cc(/N=C/c3cccs3)ccc2n1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is FIODOGRTKJYQAS-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H17N3S/c1-15-22-19-12-17(21-13-18-8-5-11-24-18)9-10-20(19)23(15)14-16-6-3-2-4-7-16/h2-13H,14H2,1H3/b21-13+.
What are the key properties of N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine?
N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 331.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 939834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).