2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide

C21H24N4OS — CID 120553780

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4OS/c1-14-12-22-11-10-17(14)23-20(26)16-7-3-2-6-15(16)13-27-21-24-18-8-4-5-9-19(18)25-21/h2-9,14,17,22H,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRUVMWZNHYRYRBX-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.58
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120553780) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120553780
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24N4OS/c1-14-12-22-11-10-17(14)23-20(26)16-7-3-2-6-15(16)13-27-21-24-18-8-4-5-9-19(18)25-21/h2-9,14,17,22H,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRUVMWZNHYRYRBX-UHFFFAOYSA-N
XLogP3.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535357
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119511812
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
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-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
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-dipropylbenzamide
CID 60520349
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55991837
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-bis(prop-2-enyl)benzamide
CID 112771435
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
CID 55539810

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide (CID 120553780) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide is CC1CNCCC1NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is RUVMWZNHYRYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14-12-22-11-10-17(14)23-20(26)16-7-3-2-6-15(16)13-27-21-24-18-8-4-5-9-19(18)25-21/h2-9,14,17,22H,10-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 380.52 g/mol, XLogP of 3.58, 5 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-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120553780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).