(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide

C18H17ClN4O2S — CID 7024063

IUPAC(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
SMILESC[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C18H17ClN4O2S/c1-11(16(24)22-17(20)25)26-18-21-14-9-13(19)7-8-15(14)23(18)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H3,20,22,24,25)/t11-/m1/s1
InChIKeyVGMNMHGROSDBGV-LLVKDONJSA-N
MW388.88 g/mol
LogP3.41
Rot. Bonds5

About (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide

(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide (PubChem CID 7024063) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
PubChem CID7024063
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
SMILESC[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C18H17ClN4O2S/c1-11(16(24)22-17(20)25)26-18-21-14-9-13(19)7-8-15(14)23(18)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H3,20,22,24,25)/t11-/m1/s1
InChIKeyVGMNMHGROSDBGV-LLVKDONJSA-N
XLogP3.41
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 42893462
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
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CID 4818989
2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide
CID 3950840
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-methylphenyl)propanamide
CID 70695921
(2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylpropanamide
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N-carbamoyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3994935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide?
The IUPAC name of (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide (CID 7024063) is (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide.
What is the SMILES notation for (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide?
The canonical SMILES for (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide is C[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide?
The InChIKey is VGMNMHGROSDBGV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-11(16(24)22-17(20)25)26-18-21-14-9-13(19)7-8-15(14)23(18)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H3,20,22,24,25)/t11-/m1/s1.
What are the key properties of (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide?
(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide has a molecular weight of 388.88 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide is sourced from PubChem (CID 7024063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).