(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide

C13H17N3OS — CID 40730768

IUPAC(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCCn1c(S[C@@H](C)C(N)=O)nc2ccccc21
InChIInChI=1S/C13H17N3OS/c1-3-8-16-11-7-5-4-6-10(11)15-13(16)18-9(2)12(14)17/h4-7,9H,3,8H2,1-2H3,(H2,14,17)/t9-/m0/s1
InChIKeyBQCXEMCTTQONKY-VIFPVBQESA-N
MW263.37 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide

(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 40730768) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID40730768
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCCn1c(S[C@@H](C)C(N)=O)nc2ccccc21
InChIInChI=1S/C13H17N3OS/c1-3-8-16-11-7-5-4-6-10(11)15-13(16)18-9(2)12(14)17/h4-7,9H,3,8H2,1-2H3,(H2,14,17)/t9-/m0/s1
InChIKeyBQCXEMCTTQONKY-VIFPVBQESA-N
XLogP2.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7043417
[(2R)-1-amino-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133772
N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4875315
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133770
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 751743
4-(1-propylbenzimidazol-2-yl)sulfanylbenzoic acid
CID 102184594
(2S)-1-(4-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 7171396
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide (CID 40730768) is (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide is CCCn1c(S[C@@H](C)C(N)=O)nc2ccccc21.
What is the InChIKey of (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is BQCXEMCTTQONKY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-8-16-11-7-5-4-6-10(11)15-13(16)18-9(2)12(14)17/h4-7,9H,3,8H2,1-2H3,(H2,14,17)/t9-/m0/s1.
What are the key properties of (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide?
(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 263.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40730768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).