N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide

C19H20N4O2S — CID 4875315

IUPACN-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2n1CCc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N4O2S/c1-13(17(24)22-18(20)25)26-19-21-15-9-5-6-10-16(15)23(19)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,22,24,25)
InChIKeyPJYLHJWALJXBQD-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.95
Rot. Bonds6

About N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide

N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 4875315) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID4875315
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2n1CCc1ccccc1)C(=O)NC(N)=O
InChIInChI=1S/C19H20N4O2S/c1-13(17(24)22-18(20)25)26-19-21-15-9-5-6-10-16(15)23(19)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,22,24,25)
InChIKeyPJYLHJWALJXBQD-UHFFFAOYSA-N
XLogP2.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 16526343
(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
CID 7024063
(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255
N-carbamoyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 3994935
(2R)-N-carbamoyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465805
(2S)-2-[[5-(4-bromophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide
CID 2078607
(2R)-N-carbamoyl-2-[[5-(2-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2510094
(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide
CID 40730768
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
N-carbamoyl-2-[[4-oxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide
CID 5173349
(2S)-N-carbamoyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 2488502
(2S)-N-carbamoyl-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2651394

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 4875315) is N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide is CC(Sc1nc2ccccc2n1CCc1ccccc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is PJYLHJWALJXBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13(17(24)22-18(20)25)26-19-21-15-9-5-6-10-16(15)23(19)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H3,20,22,24,25).
What are the key properties of N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 368.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 4875315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).