1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide

C16H19N5O3S — CID 167932646

IUPAC1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide
SMILESCCc1nc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c23)cn1CC1CC1
InChIInChI=1S/C16H19N5O3S/c1-2-13-18-14(9-21(13)8-10-6-7-10)25(23,24)20-12-5-3-4-11-15(12)19-16(22)17-11/h3-5,9-10,20H,2,6-8H2,1H3,(H2,17,19,22)
InChIKeySNMABLCJHYPRGY-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.83
Rot. Bonds6

About 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide

1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide (PubChem CID 167932646) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide
PubChem CID167932646
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide
SMILESCCc1nc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c23)cn1CC1CC1
InChIInChI=1S/C16H19N5O3S/c1-2-13-18-14(9-21(13)8-10-6-7-10)25(23,24)20-12-5-3-4-11-15(12)19-16(22)17-11/h3-5,9-10,20H,2,6-8H2,1H3,(H2,17,19,22)
InChIKeySNMABLCJHYPRGY-UHFFFAOYSA-N
XLogP1.83
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide (CID 167932646) is 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide is CCc1nc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c23)cn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide?
The InChIKey is SNMABLCJHYPRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-2-13-18-14(9-21(13)8-10-6-7-10)25(23,24)20-12-5-3-4-11-15(12)19-16(22)17-11/h3-5,9-10,20H,2,6-8H2,1H3,(H2,17,19,22).
What are the key properties of 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide?
1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-4-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 167932646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).