N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide

C21H26N4OS — CID 119641397

IUPACN-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H26N4OS/c1-3-21(22,4-2)14-23-19(26)16-10-6-5-9-15(16)13-27-20-24-17-11-7-8-12-18(17)25-20/h5-12H,3-4,13-14,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLRJSYOOIDZBEHT-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.10
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide

N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide (PubChem CID 119641397) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
PubChem CID119641397
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H26N4OS/c1-3-21(22,4-2)14-23-19(26)16-10-6-5-9-15(16)13-27-20-24-17-11-7-8-12-18(17)25-20/h5-12H,3-4,13-14,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLRJSYOOIDZBEHT-UHFFFAOYSA-N
XLogP4.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 55470670
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
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2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
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2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 51144196
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CID 119446640
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-bis(prop-2-enyl)benzamide
CID 112771435
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 55371844
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
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2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide (CID 119641397) is N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide is CCC(N)(CC)CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is LRJSYOOIDZBEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-3-21(22,4-2)14-23-19(26)16-10-6-5-9-15(16)13-27-20-24-17-11-7-8-12-18(17)25-20/h5-12H,3-4,13-14,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide?
N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 382.53 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 119641397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).