N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H18N4O3S — CID 131937299

IUPACN-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H18N4O3S/c1-25(20(27)18-7-4-10-29-18)17-6-3-2-5-14(17)19(26)22-12-13-8-9-15-16(11-13)24-21(28)23-15/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,28)
InChIKeyRSYMAVIWROKYEW-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.12
Rot. Bonds5

About N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 131937299) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID131937299
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H18N4O3S/c1-25(20(27)18-7-4-10-29-18)17-6-3-2-5-14(17)19(26)22-12-13-8-9-15-16(11-13)24-21(28)23-15/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,28)
InChIKeyRSYMAVIWROKYEW-UHFFFAOYSA-N
XLogP3.12
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 131937299) is N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is RSYMAVIWROKYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-25(20(27)18-7-4-10-29-18)17-6-3-2-5-14(17)19(26)22-12-13-8-9-15-16(11-13)24-21(28)23-15/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,28).
What are the key properties of N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 131937299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).