N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide

C25H23N5OS — CID 55470670

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C25H23N5OS/c31-24(26-15-7-14-23-27-19-10-3-4-11-20(19)28-23)18-9-2-1-8-17(18)16-32-25-29-21-12-5-6-13-22(21)30-25/h1-6,8-13H,7,14-16H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyGILPEBFFLBYCMU-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.09
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide (PubChem CID 55470670) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
PubChem CID55470670
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C25H23N5OS/c31-24(26-15-7-14-23-27-19-10-3-4-11-20(19)28-23)18-9-2-1-8-17(18)16-32-25-29-21-12-5-6-13-22(21)30-25/h1-6,8-13H,7,14-16H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyGILPEBFFLBYCMU-UHFFFAOYSA-N
XLogP5.09
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-hydroxypropyl)benzamide
CID 78796351
N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 36806971
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;dihydrochloride
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2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535357
N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 119641397
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-bis(prop-2-enyl)benzamide
CID 112771435
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119511812
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
CID 55539810
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide (CID 55470670) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide is O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is GILPEBFFLBYCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c31-24(26-15-7-14-23-27-19-10-3-4-11-20(19)28-23)18-9-2-1-8-17(18)16-32-25-29-21-12-5-6-13-22(21)30-25/h1-6,8-13H,7,14-16H2,(H,26,31)(H,27,28)(H,29,30).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 441.56 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 55470670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).