2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide

C17H17N3O3S — CID 56789277

IUPAC2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2n1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H17N3O3S/c1-12(24(2,22)23)16(21)19-17-18-14-10-6-7-11-15(14)20(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19,21)
InChIKeyNFGNDNPNQQRGBB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.40
Rot. Bonds4

About 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide

2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 56789277) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID56789277
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2n1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H17N3O3S/c1-12(24(2,22)23)16(21)19-17-18-14-10-6-7-11-15(14)20(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19,21)
InChIKeyNFGNDNPNQQRGBB-UHFFFAOYSA-N
XLogP2.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide (CID 56789277) is 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide is CC(C(=O)Nc1nc2ccccc2n1-c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is NFGNDNPNQQRGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12(24(2,22)23)16(21)19-17-18-14-10-6-7-11-15(14)20(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19,21).
What are the key properties of 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide?
2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 56789277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).