1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea

C17H20N6OS — CID 118791530

IUPAC1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
SMILESCn1cnc2cc(NC(=O)NCc3csc(N4CCCC4)n3)ccc21
InChIInChI=1S/C17H20N6OS/c1-22-11-19-14-8-12(4-5-15(14)22)20-16(24)18-9-13-10-25-17(21-13)23-6-2-3-7-23/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H2,18,20,24)
InChIKeyAIWJMUPQXCSWJP-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.95
Rot. Bonds4

About 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea

1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 118791530) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
PubChem CID118791530
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
SMILESCn1cnc2cc(NC(=O)NCc3csc(N4CCCC4)n3)ccc21
InChIInChI=1S/C17H20N6OS/c1-22-11-19-14-8-12(4-5-15(14)22)20-16(24)18-9-13-10-25-17(21-13)23-6-2-3-7-23/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H2,18,20,24)
InChIKeyAIWJMUPQXCSWJP-UHFFFAOYSA-N
XLogP2.95
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
(1-methylbenzimidazol-5-yl)urea
CID 12521213
1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 77087139
(1R)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 99933943
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165335
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 56527610
2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115186851
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
CID 162634908

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea (CID 118791530) is 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea is Cn1cnc2cc(NC(=O)NCc3csc(N4CCCC4)n3)ccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is AIWJMUPQXCSWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-22-11-19-14-8-12(4-5-15(14)22)20-16(24)18-9-13-10-25-17(21-13)23-6-2-3-7-23/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H2,18,20,24).
What are the key properties of 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea?
1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 356.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 118791530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).