N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide

C17H15N5OS — CID 21008859

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15N5OS/c23-16(10-24-17-21-13-7-3-4-8-14(13)22-17)18-9-15-19-11-5-1-2-6-12(11)20-15/h1-8H,9-10H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyXRLZKVNULAWQDR-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.85
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide (PubChem CID 21008859) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
PubChem CID21008859
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15N5OS/c23-16(10-24-17-21-13-7-3-4-8-14(13)22-17)18-9-15-19-11-5-1-2-6-12(11)20-15/h1-8H,9-10H2,(H,18,23)(H,19,20)(H,21,22)
InChIKeyXRLZKVNULAWQDR-UHFFFAOYSA-N
XLogP2.85
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide 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

N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51143918
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 112791105
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4520418
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1-adamantylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 3498003
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide
CID 167438199
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
CID 847863
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
N-(1H-benzimidazol-2-ylmethyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 112791121

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide (CID 21008859) is N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
The InChIKey is XRLZKVNULAWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c23-16(10-24-17-21-13-7-3-4-8-14(13)22-17)18-9-15-19-11-5-1-2-6-12(11)20-15/h1-8H,9-10H2,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide has a molecular weight of 337.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 21008859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).