2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide

C24H19N5OS — CID 60613377

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N5OS/c30-23(27-18-11-9-16(10-12-18)22-25-13-14-26-22)19-6-2-1-5-17(19)15-31-24-28-20-7-3-4-8-21(20)29-24/h1-14H,15H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyVJEFUXISEFZTOF-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.50
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide (PubChem CID 60613377) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
PubChem CID60613377
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N5OS/c30-23(27-18-11-9-16(10-12-18)22-25-13-14-26-22)19-6-2-1-5-17(19)15-31-24-28-20-7-3-4-8-21(20)29-24/h1-14H,15H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyVJEFUXISEFZTOF-UHFFFAOYSA-N
XLogP5.50
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
CID 60555097
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
CID 55539810
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451425
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-hydroxypropyl)benzamide
CID 78796351
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 55990243
4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55543361
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 55470670
N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 119641397
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 51144196
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-bis(prop-2-enyl)benzamide
CID 112771435

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide (CID 60613377) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide?
The InChIKey is VJEFUXISEFZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c30-23(27-18-11-9-16(10-12-18)22-25-13-14-26-22)19-6-2-1-5-17(19)15-31-24-28-20-7-3-4-8-21(20)29-24/h1-14H,15H2,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide has a molecular weight of 425.52 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-(1H-imidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 60613377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).