2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide

C21H24N4OS — CID 119535357

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4OS/c26-20(23-12-10-15-9-11-22-13-15)17-6-2-1-5-16(17)14-27-21-24-18-7-3-4-8-19(18)25-21/h1-8,15,22H,9-14H2,(H,23,26)(H,24,25)
InChIKeyDZFRLWSMDLFMGS-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.58
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119535357) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119535357
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4OS/c26-20(23-12-10-15-9-11-22-13-15)17-6-2-1-5-16(17)14-27-21-24-18-7-3-4-8-19(18)25-21/h1-8,15,22H,9-14H2,(H,23,26)(H,24,25)
InChIKeyDZFRLWSMDLFMGS-UHFFFAOYSA-N
XLogP3.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120553780
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-hydroxypropyl)benzamide
CID 78796351
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-piperazin-1-ylethyl)benzamide;dihydrochloride
CID 119446640
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119511812
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 55470670
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 119641397
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-bis(prop-2-enyl)benzamide
CID 112771435
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119537563
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119535357) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide is O=C(NCCC1CCNC1)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is DZFRLWSMDLFMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c26-20(23-12-10-15-9-11-22-13-15)17-6-2-1-5-16(17)14-27-21-24-18-7-3-4-8-19(18)25-21/h1-8,15,22H,9-14H2,(H,23,26)(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 380.52 g/mol, XLogP of 3.58, 7 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-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119535357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).