3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C19H18N6OS — CID 131925245

IUPAC3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc2ccccc2n1CCC(=O)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C19H18N6OS/c1-13-23-15-5-2-3-6-16(15)25(13)10-7-17(26)22-11-14-12-27-19(24-14)18-20-8-4-9-21-18/h2-6,8-9,12H,7,10-11H2,1H3,(H,22,26)
InChIKeyPMMVALSCJGEXJA-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.96
Rot. Bonds6

About 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 131925245) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID131925245
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc2ccccc2n1CCC(=O)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C19H18N6OS/c1-13-23-15-5-2-3-6-16(15)25(13)10-7-17(26)22-11-14-12-27-19(24-14)18-20-8-4-9-21-18/h2-6,8-9,12H,7,10-11H2,1H3,(H,22,26)
InChIKeyPMMVALSCJGEXJA-UHFFFAOYSA-N
XLogP2.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91765392
3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 91789084
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 38715432
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
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3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
N-(1-propylbenzimidazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27668468
N-cyclohexyl-4-[3-(2-methylbenzimidazol-1-yl)propanoylamino]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 131925245) is 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc2ccccc2n1CCC(=O)NCc1csc(-c2ncccn2)n1.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is PMMVALSCJGEXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-13-23-15-5-2-3-6-16(15)25(13)10-7-17(26)22-11-14-12-27-19(24-14)18-20-8-4-9-21-18/h2-6,8-9,12H,7,10-11H2,1H3,(H,22,26).
What are the key properties of 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 378.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 131925245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).